1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol

C9H7BrF2O — CID 117375069

IUPAC1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol
SMILESOC1(c2ccc(F)c(F)c2Br)CC1
InChIInChI=1S/C9H7BrF2O/c10-7-5(9(13)3-4-9)1-2-6(11)8(7)12/h1-2,13H,3-4H2
InChIKeyGLPFICUEAMGOSR-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.71
Rot. Bonds1

About 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol

1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol (PubChem CID 117375069) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol
PubChem CID117375069
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol
SMILESOC1(c2ccc(F)c(F)c2Br)CC1
InChIInChI=1S/C9H7BrF2O/c10-7-5(9(13)3-4-9)1-2-6(11)8(7)12/h1-2,13H,3-4H2
InChIKeyGLPFICUEAMGOSR-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-3,4-difluorophenyl)cyclopropan-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

1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438
1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
CID 117375066
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512
1-(2,4-dibromophenyl)cyclopropan-1-ol
CID 107957829
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
3-(2,3,4-trifluorophenyl)piperidin-3-ol
CID 63588689
1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117117438
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
CID 117104296
4-(5-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 79742352

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol (CID 117375069) is 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol is OC1(c2ccc(F)c(F)c2Br)CC1.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol?
The InChIKey is GLPFICUEAMGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-7-5(9(13)3-4-9)1-2-6(11)8(7)12/h1-2,13H,3-4H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol?
1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol has a molecular weight of 249.05 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 117375069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).