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

C16H21F3O — CID 65149544

IUPAC2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3O/c1-2-13-7-3-4-9-15(13,20)11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyZFYMNRWMKIHWQV-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.58
Rot. Bonds3

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

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 65149544) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID65149544
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3O/c1-2-13-7-3-4-9-15(13,20)11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyZFYMNRWMKIHWQV-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
2-[dimethylamino-[4-(trifluoromethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 22447889
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (CID 65149544) is 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is CCC1CCCCC1(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is ZFYMNRWMKIHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-2-13-7-3-4-9-15(13,20)11-12-6-5-8-14(10-12)16(17,18)19/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3.
What are the key properties of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65149544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).