2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol

C14H16F6O — CID 83052238

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCCC(O)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6O/c1-3-4-12(21)8(2)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20/h5-8,12,21H,3-4H2,1-2H3
InChIKeyLHCZDHOUGOXFHI-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.99
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol

2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol (PubChem CID 83052238) has the molecular formula C14H16F6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol
PubChem CID83052238
Molecular FormulaC14H16F6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCCC(O)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6O/c1-3-4-12(21)8(2)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20/h5-8,12,21H,3-4H2,1-2H3
InChIKeyLHCZDHOUGOXFHI-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
CID 143627234
1-(3-bromopentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 79308013
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
1-(3-ethyl-3-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 145045291
2-(4-chlorophenyl)hexan-3-ol
CID 83051446
(1S,2R)-1-amino-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-2-ol
CID 171271722
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol (CID 83052238) is 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol is CCCC(O)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol?
The InChIKey is LHCZDHOUGOXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O/c1-3-4-12(21)8(2)9-5-10(13(15,16)17)7-11(6-9)14(18,19)20/h5-8,12,21H,3-4H2,1-2H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol?
2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol has a molecular weight of 314.27 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol is sourced from PubChem (CID 83052238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).