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

C14H19F3O — CID 65149566

IUPAC3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
SMILESCCCC(C)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-3-5-10(2)13(18)9-11-6-4-7-12(8-11)14(15,16)17/h4,6-8,10,13,18H,3,5,9H2,1-2H3
InChIKeyKFPNMJZOOCANCC-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds5

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

3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol (PubChem CID 65149566) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
PubChem CID65149566
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
SMILESCCCC(C)C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-3-5-10(2)13(18)9-11-6-4-7-12(8-11)14(15,16)17/h4,6-8,10,13,18H,3,5,9H2,1-2H3
InChIKeyKFPNMJZOOCANCC-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-(3-chlorophenyl)-3-methylhexan-2-ol
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1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 116713333
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol (CID 65149566) is 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol is CCCC(C)C(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol?
The InChIKey is KFPNMJZOOCANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-3-5-10(2)13(18)9-11-6-4-7-12(8-11)14(15,16)17/h4,6-8,10,13,18H,3,5,9H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol?
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol is sourced from PubChem (CID 65149566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).