3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol

C14H17F3O — CID 115797110

IUPAC3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOC(CCC1CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3O/c15-11-7-6-10(13(16)14(11)17)12(18)8-5-9-3-1-2-4-9/h6-7,9,12,18H,1-5,8H2
InChIKeyGDQIXYAXNHHYOM-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.11
Rot. Bonds4

About 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol

3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 115797110) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID115797110
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESOC(CCC1CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3O/c15-11-7-6-10(13(16)14(11)17)12(18)8-5-9-3-1-2-4-9/h6-7,9,12,18H,1-5,8H2
InChIKeyGDQIXYAXNHHYOM-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
CID 114192030
5-methyl-1-(2,3,4-trifluorophenyl)hexan-1-ol
CID 115829925
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol (CID 115797110) is 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol is OC(CCC1CCCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is GDQIXYAXNHHYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c15-11-7-6-10(13(16)14(11)17)12(18)8-5-9-3-1-2-4-9/h6-7,9,12,18H,1-5,8H2.
What are the key properties of 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol?
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 115797110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).