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

C15H19F3O2 — CID 103452078

IUPAC1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)12-7-5-6-11(10-12)13(19)14(20)8-3-1-2-4-9-14/h5-7,10,13,19-20H,1-4,8-9H2
InChIKeyKMWYWLOZSKFSJY-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.82
Rot. Bonds2

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

1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol (PubChem CID 103452078) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
PubChem CID103452078
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)12-7-5-6-11(10-12)13(19)14(20)8-3-1-2-4-9-14/h5-7,10,13,19-20H,1-4,8-9H2
InChIKeyKMWYWLOZSKFSJY-UHFFFAOYSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
CID 103452414
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carbonitrile
CID 79136542
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
3-[[1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cyclohexyl]amino]propane-1-sulfonic acid
CID 58691925
1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 11718973
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701187
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701297
3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,1-dioxothiolane-3-carbonitrile
CID 115338267
1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 11179494

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol (CID 103452078) is 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol is OC(c1cccc(C(F)(F)F)c1)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol?
The InChIKey is KMWYWLOZSKFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c16-15(17,18)12-7-5-6-11(10-12)13(19)14(20)8-3-1-2-4-9-14/h5-7,10,13,19-20H,1-4,8-9H2.
What are the key properties of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol?
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol is sourced from PubChem (CID 103452078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).