1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene

C108H142F5N11O4S2 — CID 158777518

IUPAC1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(C)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C.COc1c(C)cnn1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O.C13H16N2.C13H15NOS.C12H16F2.C12H18N2.C12H13NOS.C11H17N.C10H11F3O.C10H16N2/c1-11(2)14-7-5-13(6-8-14)10-17-15(18-4)12(3)9-16-17;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-9(2)11-7-5-4-6-10(11)8-12(3,13)14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h5-9,11H,10H2,1-4H3;3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;4-7,9H,8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3
InChIKeyIQQQLHSTPOKCAV-UHFFFAOYSA-N
MW1817.52 g/mol
LogP27.51
Rot. Bonds25

About 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene

1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 158777518) has the molecular formula C108H142F5N11O4S2 and a molecular weight of 1817.52 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID158777518
Molecular FormulaC108H142F5N11O4S2
Molecular Weight1817.52 g/mol
Exact Mass1816.06
IUPAC Name1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(C)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C.COc1c(C)cnn1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O.C13H16N2.C13H15NOS.C12H16F2.C12H18N2.C12H13NOS.C11H17N.C10H11F3O.C10H16N2/c1-11(2)14-7-5-13(6-8-14)10-17-15(18-4)12(3)9-16-17;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-9(2)11-7-5-4-6-10(11)8-12(3,13)14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h5-9,11H,10H2,1-4H3;3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;4-7,9H,8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3
InChIKeyIQQQLHSTPOKCAV-UHFFFAOYSA-N
XLogP27.51
TPSA151.18 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.52
LogP ≤ 527.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157194020
N-(1,3-diphenylpyrazol-5-yl)benzamide;N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide;N-(1,3-diphenylpyrazol-5-yl)-2-methoxybenzamide;N-(1,3-diphenylpyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 158105872
N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158906061
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(3-propan-2-ylphenyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 160659384
methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161357587
1-(1,1-difluoroethoxy)-2-propan-2-ylbenzene;1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one
CID 161708279
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 158078159
2,6-difluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 158147163

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 158777518) is 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1CC(C)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.CNCc1ccccc1C(C)C.COc1c(C)cnn1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is IQQQLHSTPOKCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C13H16N2.C13H15NOS.C12H16F2.C12H18N2.C12H13NOS.C11H17N.C10H11F3O.C10H16N2/c1-11(2)14-7-5-13(6-8-14)10-17-15(18-4)12(3)9-16-17;1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-9(2)11-7-5-4-6-10(11)8-12(3,13)14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-9(2)11-7-5-4-6-10(11)8-12-3;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3/h5-9,11H,10H2,1-4H3;3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;4-7,9H,8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;4-7,9,12H,8H2,1-3H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3.
What are the key properties of 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 1817.52 g/mol, XLogP of 27.51, 25 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158777518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).