1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol

C11H8ClF7O — CID 156764188

IUPAC1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H8ClF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,10(14,15)16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyDDQAMTQAWMPDKZ-UHFFFAOYSA-N
MW324.62 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol

1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol (PubChem CID 156764188) has the molecular formula C11H8ClF7O and a molecular weight of 324.62 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
PubChem CID156764188
Molecular FormulaC11H8ClF7O
Molecular Weight324.62 g/mol
Exact Mass324.02
IUPAC Name1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H8ClF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,10(14,15)16)11(17,18)19/h1-4,8,20H,5H2
InChIKeyDDQAMTQAWMPDKZ-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,4,4-tetrafluoro-1-(2-methoxyphenyl)-3-(trifluoromethyl)butan-1-ol
CID 156764449
[2-[3,4,4,4-tetrafluoro-1-hydroxy-3-(trifluoromethyl)butyl]phenyl] acetate
CID 156764441
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol (CID 156764188) is 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol is OC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
The InChIKey is DDQAMTQAWMPDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF7O/c12-7-4-2-1-3-6(7)8(20)5-9(13,10(14,15)16)11(17,18)19/h1-4,8,20H,5H2.
What are the key properties of 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol?
1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol has a molecular weight of 324.62 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 156764188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).