1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol

C12H12F6O — CID 20728974

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
SMILESCCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-2-4-8-5-3-6-9(7-8)10(19,11(13,14)15)12(16,17)18/h3,5-7,19H,2,4H2,1H3
InChIKeyIBZZXPYMJGNAIN-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.95
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol (PubChem CID 20728974) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
PubChem CID20728974
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
SMILESCCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-2-4-8-5-3-6-9(7-8)10(19,11(13,14)15)12(16,17)18/h3,5-7,19H,2,4H2,1H3
InChIKeyIBZZXPYMJGNAIN-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol with MolForge

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Related Compounds

3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
CID 20728984
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-(2-chlorophenyl)-1-(3-propylphenyl)ethanol
CID 116542288
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol (CID 20728974) is 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol is CCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol?
The InChIKey is IBZZXPYMJGNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c1-2-4-8-5-3-6-9(7-8)10(19,11(13,14)15)12(16,17)18/h3,5-7,19H,2,4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol has a molecular weight of 286.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol is sourced from PubChem (CID 20728974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).