1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol

C9H7BrF2O — CID 117375066

IUPAC1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(F)cc(F)c2Br)CC1
InChIInChI=1S/C9H7BrF2O/c10-8-6(9(13)1-2-9)3-5(11)4-7(8)12/h3-4,13H,1-2H2
InChIKeyLZZCNGAXSYDSEA-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.71
Rot. Bonds1

About 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol

1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol (PubChem CID 117375066) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
PubChem CID117375066
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(F)cc(F)c2Br)CC1
InChIInChI=1S/C9H7BrF2O/c10-8-6(9(13)1-2-9)3-5(11)4-7(8)12/h3-4,13H,1-2H2
InChIKeyLZZCNGAXSYDSEA-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_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 84803252
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol
CID 117375069
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
CID 117303487
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
CID 117104296
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol (CID 117375066) is 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol is OC1(c2cc(F)cc(F)c2Br)CC1.
What is the InChIKey of 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol?
The InChIKey is LZZCNGAXSYDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-8-6(9(13)1-2-9)3-5(11)4-7(8)12/h3-4,13H,1-2H2.
What are the key properties of 1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol?
1-(2-bromo-3,5-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-3,5-difluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 117375066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).