2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol

C14H17BrF2O — CID 114225420

IUPAC2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol
SMILESOCC(CC1CCC(F)(F)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrF2O/c15-13-3-1-11(2-4-13)12(9-18)7-10-5-6-14(16,17)8-10/h1-4,10,12,18H,5-9H2
InChIKeyYPFZPCFKQXIXCA-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol

2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol (PubChem CID 114225420) has the molecular formula C14H17BrF2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol
PubChem CID114225420
Molecular FormulaC14H17BrF2O
Molecular Weight319.19 g/mol
Exact Mass318.04
IUPAC Name2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol
SMILESOCC(CC1CCC(F)(F)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrF2O/c15-13-3-1-11(2-4-13)12(9-18)7-10-5-6-14(16,17)8-10/h1-4,10,12,18H,5-9H2
InChIKeyYPFZPCFKQXIXCA-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)acetic acid
CID 166456570
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
1-bromo-4-[(2S)-1-(4,4-dimethylcyclohexyl)propan-2-yl]benzene
CID 58276340
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-(3-bromo-2-pyridinyl)-2-(3,3-difluorocyclopentyl)ethanol
CID 114224727
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
4-[3-bromo-2-(4-bromophenyl)propyl]oxane
CID 79435273
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol (CID 114225420) is 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol is OCC(CC1CCC(F)(F)C1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol?
The InChIKey is YPFZPCFKQXIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2O/c15-13-3-1-11(2-4-13)12(9-18)7-10-5-6-14(16,17)8-10/h1-4,10,12,18H,5-9H2.
What are the key properties of 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol?
2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol has a molecular weight of 319.19 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(3,3-difluorocyclopentyl)propan-1-ol is sourced from PubChem (CID 114225420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).