1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol

C16H21F3O2 — CID 103452163

IUPAC1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)13-7-5-6-12(10-13)11-14(20)15(21)8-3-1-2-4-9-15/h5-7,10,14,20-21H,1-4,8-9,11H2
InChIKeyOOVGCZHECHJDGF-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.69
Rot. Bonds3

About 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol

1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol (PubChem CID 103452163) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
PubChem CID103452163
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)13-7-5-6-12(10-13)11-14(20)15(21)8-3-1-2-4-9-15/h5-7,10,14,20-21H,1-4,8-9,11H2
InChIKeyOOVGCZHECHJDGF-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
[1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268693

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol (CID 103452163) is 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol is OC(Cc1cccc(C(F)(F)F)c1)C1(O)CCCCCC1.
What is the InChIKey of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The InChIKey is OOVGCZHECHJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c17-16(18,19)13-7-5-6-12(10-13)11-14(20)15(21)8-3-1-2-4-9-15/h5-7,10,14,20-21H,1-4,8-9,11H2.
What are the key properties of 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol has a molecular weight of 302.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).