5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol

C14H19F3O — CID 112509157

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
SMILESCC(C)CC(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12,18H,6-8H2,1-2H3
InChIKeyHLKNQIZKTSKVDB-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.22
Rot. Bonds5

About 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol

5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol (PubChem CID 112509157) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
PubChem CID112509157
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
SMILESCC(C)CC(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12,18H,6-8H2,1-2H3
InChIKeyHLKNQIZKTSKVDB-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol (CID 112509157) is 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol is CC(C)CC(CCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol?
The InChIKey is HLKNQIZKTSKVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-10(2)8-12(6-7-18)11-4-3-5-13(9-11)14(15,16)17/h3-5,9-10,12,18H,6-8H2,1-2H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol?
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol has a molecular weight of 260.30 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol is sourced from PubChem (CID 112509157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).