1-[3-(trifluoromethoxy)phenyl]hexan-3-ol

C13H17F3O2 — CID 64513226

IUPAC1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
SMILESCCCC(O)CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3O2/c1-2-4-11(17)8-7-10-5-3-6-12(9-10)18-13(14,15)16/h3,5-6,9,11,17H,2,4,7-8H2,1H3
InChIKeyVZBRYXMGTBSZHC-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.68
Rot. Bonds6

About 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol

1-[3-(trifluoromethoxy)phenyl]hexan-3-ol (PubChem CID 64513226) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
PubChem CID64513226
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
SMILESCCCC(O)CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3O2/c1-2-4-11(17)8-7-10-5-3-6-12(9-10)18-13(14,15)16/h3,5-6,9,11,17H,2,4,7-8H2,1H3
InChIKeyVZBRYXMGTBSZHC-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 135373025
2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
CID 22452343
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 66848411
1-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 159480630
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol (CID 64513226) is 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol is CCCC(O)CCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol?
The InChIKey is VZBRYXMGTBSZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-2-4-11(17)8-7-10-5-3-6-12(9-10)18-13(14,15)16/h3,5-6,9,11,17H,2,4,7-8H2,1H3.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol?
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol has a molecular weight of 262.27 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]hexan-3-ol is sourced from PubChem (CID 64513226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).