3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol

C11H9F7O — CID 156763992

IUPAC3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol
SMILESOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F7O/c12-9(10(13,14)15,11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2
InChIKeyWFXGHAFEFQFXPN-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.94
Rot. Bonds3

About 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol

3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol (PubChem CID 156763992) has the molecular formula C11H9F7O and a molecular weight of 290.18 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol
PubChem CID156763992
Molecular FormulaC11H9F7O
Molecular Weight290.18 g/mol
Exact Mass290.05
IUPAC Name3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol
SMILESOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F7O/c12-9(10(13,14)15,11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2
InChIKeyWFXGHAFEFQFXPN-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
3-Methylbenzyl alcohol
CID 11476
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol (CID 156763992) is 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol is OC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol?
The InChIKey is WFXGHAFEFQFXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7O/c12-9(10(13,14)15,11(16,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19H,6H2.
What are the key properties of 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol?
3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol has a molecular weight of 290.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-1-phenyl-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 156763992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).