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

C11H9ClF6O — CID 103312429

IUPAC1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9ClF6O/c12-7-4-2-1-3-6(7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9,19H,5H2
InChIKeyLDFHFZSVMKOALC-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.98
Rot. Bonds3

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

1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312429) has the molecular formula C11H9ClF6O and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
PubChem CID103312429
Molecular FormulaC11H9ClF6O
Molecular Weight306.63 g/mol
Exact Mass306.02
IUPAC Name1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESOC(Cc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9ClF6O/c12-7-4-2-1-3-6(7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9,19H,5H2
InChIKeyLDFHFZSVMKOALC-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,6S)-1,8-bis(2-chlorophenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 54545376
1-(2-chlorophenyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311717
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
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1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
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(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chlorophenyl)pent-4-yn-2-ol
CID 62232785
2-[(2-chlorophenyl)methyl]-2-fluoropropanedioic acid
CID 122239702
(2S)-3-(2-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]propanoic acid
CID 68864758

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (CID 103312429) is 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is OC(Cc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The InChIKey is LDFHFZSVMKOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF6O/c12-7-4-2-1-3-6(7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9,19H,5H2.
What are the key properties of 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol has a molecular weight of 306.63 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).