5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol

C14H19F3O — CID 112509156

IUPAC5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol
SMILESCC(C)CC(CCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O/c1-10(2)9-11(7-8-18)12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyQKJKHIVFFRDKSV-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.22
Rot. Bonds5

About 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol

5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol (PubChem CID 112509156) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol
PubChem CID112509156
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol
SMILESCC(C)CC(CCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O/c1-10(2)9-11(7-8-18)12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyQKJKHIVFFRDKSV-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

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5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-ol
CID 112509157
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CID 105495712
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
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2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
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1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol (CID 112509156) is 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol is CC(C)CC(CCO)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol?
The InChIKey is QKJKHIVFFRDKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-10(2)9-11(7-8-18)12-5-3-4-6-13(12)14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(trifluoromethyl)phenyl]hexan-1-ol?
5-methyl-3-[2-(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-[2-(trifluoromethyl)phenyl]hexan-1-ol is sourced from PubChem (CID 112509156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).