1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

C92H141ClF4N2O — CID 162243126

IUPAC1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1CC(C)(F)C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)N1CCCCC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccco1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H11F3.2C10H14.C9H11Cl.C9H12.C8H15F.C8H17N.C8H11N.C7H10O.C7H14.C6H12/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8(3,9)5-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;6-7H,4-5H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyZWYYHNYDDFOALF-UHFFFAOYSA-N
MW1402.60 g/mol
LogP30.10
Rot. Bonds11

About 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 162243126) has the molecular formula C92H141ClF4N2O and a molecular weight of 1402.60 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID162243126
Molecular FormulaC92H141ClF4N2O
Molecular Weight1402.60 g/mol
Exact Mass1401.07
IUPAC Name1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1CC(C)(F)C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)N1CCCCC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccco1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C10H11F3.2C10H14.C9H11Cl.C9H12.C8H15F.C8H17N.C8H11N.C7H10O.C7H14.C6H12/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8(3,9)5-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;6-7H,4-5H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyZWYYHNYDDFOALF-UHFFFAOYSA-N
XLogP30.10
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.60
LogP ≤ 530.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158495434
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane
CID 159391299
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610
2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 159029180
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133414877
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 162243126) is 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)C1CC(C)(F)C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)N1CCCCC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccco1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is ZWYYHNYDDFOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.2C10H14.C9H11Cl.C9H12.C8H15F.C8H17N.C8H11N.C7H10O.C7H14.C6H12/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-8(3,9)5-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h3-7H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;6-7H,4-5H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 1402.60 g/mol, XLogP of 30.10, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162243126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).