2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol

C12H14ClF3O — CID 115515246

IUPAC2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClF3O/c1-11(17,7-2-8-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3
InChIKeyMHEGAGPQCHNCFA-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol

2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol (PubChem CID 115515246) has the molecular formula C12H14ClF3O and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
PubChem CID115515246
Molecular FormulaC12H14ClF3O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClF3O/c1-11(17,7-2-8-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3
InChIKeyMHEGAGPQCHNCFA-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)pentan-2-ol
CID 23555553
6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
CID 116536006
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
2-(4-chlorophenyl)hex-5-yn-2-ol
CID 63656672
2-(4-chlorophenyl)hept-5-yn-2-ol
CID 104809269
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile
CID 21396505
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol (CID 115515246) is 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is MHEGAGPQCHNCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O/c1-11(17,7-2-8-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol?
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 266.69 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 115515246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).