3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)

C125H146ClF30N3O — CID 158038515

IUPAC3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)
SMILESCC(C)(C)c1ccoc1C(F)F.CC(C)c1cc(C2CC2)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)c(F)cc1C(F)F.CC(C)c1cc(F)ccc1C#N.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1ncccc1C(F)F.CCc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)F)c(C(C)C)c1
InChIInChI=1S/C13H15F3.C12H15F3.2C11H13F3.C11H14F2.C10H11ClF2.C10H10F4.C10H11F3.C10H10FN.2C9H11F2N.C9H12F2O/c1-8(2)11-7-10(9-3-4-9)5-6-12(11)13(14,15)16;1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3;2*1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)10-6-8(3)4-5-9(10)11(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-5(2)6-3-8(11)9(12)4-7(6)10(13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)10-5-9(11)4-3-8(10)6-12;1-6(2)8-7(9(10)11)4-3-5-12-8;1-6(2)7-4-3-5-12-8(7)9(10)11;1-9(2,3)6-4-5-12-7(6)8(10)11/h5-9H,3-4H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3;3-6,10H,1-2H3;3-5,10H,1-2H3;3-6,10H,1-2H3;3-5,7H,1-2H3;2*3-6,9H,1-2H3;4-5,8H,1-3H3
InChIKeyFIBHXNNRFQRYOJ-UHFFFAOYSA-N
MW2311.96 g/mol
LogP46.36
Rot. Bonds20

About 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)

3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) (PubChem CID 158038515) has the molecular formula C125H146ClF30N3O and a molecular weight of 2311.96 g/mol. Its IUPAC name is 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene).

Molecular Properties

Compound Name3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)
PubChem CID158038515
Molecular FormulaC125H146ClF30N3O
Molecular Weight2311.96 g/mol
Exact Mass2310.07
IUPAC Name3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)
SMILESCC(C)(C)c1ccoc1C(F)F.CC(C)c1cc(C2CC2)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)c(F)cc1C(F)F.CC(C)c1cc(F)ccc1C#N.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1ncccc1C(F)F.CCc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)F)c(C(C)C)c1
InChIInChI=1S/C13H15F3.C12H15F3.2C11H13F3.C11H14F2.C10H11ClF2.C10H10F4.C10H11F3.C10H10FN.2C9H11F2N.C9H12F2O/c1-8(2)11-7-10(9-3-4-9)5-6-12(11)13(14,15)16;1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3;2*1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)10-6-8(3)4-5-9(10)11(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-5(2)6-3-8(11)9(12)4-7(6)10(13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)10-5-9(11)4-3-8(10)6-12;1-6(2)8-7(9(10)11)4-3-5-12-8;1-6(2)7-4-3-5-12-8(7)9(10)11;1-9(2,3)6-4-5-12-7(6)8(10)11/h5-9H,3-4H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3;3-6,10H,1-2H3;3-5,10H,1-2H3;3-6,10H,1-2H3;3-5,7H,1-2H3;2*3-6,9H,1-2H3;4-5,8H,1-3H3
InChIKeyFIBHXNNRFQRYOJ-UHFFFAOYSA-N
XLogP46.36
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002311.96
LogP ≤ 546.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)?
The IUPAC name of 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) (CID 158038515) is 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene).
What is the SMILES notation for 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)?
The canonical SMILES for 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) is CC(C)(C)c1ccoc1C(F)F.CC(C)c1cc(C2CC2)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)c(F)cc1C(F)F.CC(C)c1cc(F)ccc1C#N.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1ncccc1C(F)F.CCc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)c(C(C)C)c1.Cc1ccc(C(F)F)c(C(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)?
The InChIKey is FIBHXNNRFQRYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3.C12H15F3.2C11H13F3.C11H14F2.C10H11ClF2.C10H10F4.C10H11F3.C10H10FN.2C9H11F2N.C9H12F2O/c1-8(2)11-7-10(9-3-4-9)5-6-12(11)13(14,15)16;1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3;2*1-7(2)9-6-8(3)4-5-10(9)11(12,13)14;1-7(2)10-6-8(3)4-5-9(10)11(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-5(2)6-3-8(11)9(12)4-7(6)10(13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-7(2)10-5-9(11)4-3-8(10)6-12;1-6(2)8-7(9(10)11)4-3-5-12-8;1-6(2)7-4-3-5-12-8(7)9(10)11;1-9(2,3)6-4-5-12-7(6)8(10)11/h5-9H,3-4H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3;3-6,10H,1-2H3;3-5,10H,1-2H3;3-6,10H,1-2H3;3-5,7H,1-2H3;2*3-6,9H,1-2H3;4-5,8H,1-3H3.
What are the key properties of 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene)?
3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) has a molecular weight of 2311.96 g/mol, XLogP of 46.36, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(difluoromethyl)furan;4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-cyclopropyl-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4,5-difluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;1-(difluoromethyl)-4-methyl-2-propan-2-ylbenzene;2-(difluoromethyl)-3-propan-2-ylpyridine;3-(difluoromethyl)-2-propan-2-ylpyridine;4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-fluoro-2-propan-2-ylbenzonitrile;bis(4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene) is sourced from PubChem (CID 158038515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).