1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol

C14H17F3O2 — CID 65213996

IUPAC1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESOC1(COc2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)11-6-2-3-7-12(11)19-10-13(18)8-4-1-5-9-13/h2-3,6-7,18H,1,4-5,8-10H2
InChIKeyPHVAVWMVCXLSIC-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.78
Rot. Bonds3

About 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol

1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65213996) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID65213996
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESOC1(COc2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)11-6-2-3-7-12(11)19-10-13(18)8-4-1-5-9-13/h2-3,6-7,18H,1,4-5,8-10H2
InChIKeyPHVAVWMVCXLSIC-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
1-(bromomethyl)-1-[[2-(trifluoromethyl)phenoxy]methyl]cycloheptane
CID 65010543
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389
1-[(2-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212411
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190
2-[(1-hydroxycyclohexyl)methoxy]benzamide
CID 65213697
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208762
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167969787
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[[2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]methyl]cyclohexan-1-ol
CID 171111817
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol (CID 65213996) is 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol is OC1(COc2ccccc2C(F)(F)F)CCCCC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is PHVAVWMVCXLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c15-14(16,17)11-6-2-3-7-12(11)19-10-13(18)8-4-1-5-9-13/h2-3,6-7,18H,1,4-5,8-10H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol?
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).