1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol

C10H9BrF2O — CID 117411677

IUPAC1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(Br)c(F)c(C2(O)CC2)c1F
InChIInChI=1S/C10H9BrF2O/c1-5-4-6(11)9(13)7(8(5)12)10(14)2-3-10/h4,14H,2-3H2,1H3
InChIKeyMRBNKYNXQMEGIH-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.02
Rot. Bonds1

About 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol

1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol (PubChem CID 117411677) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
PubChem CID117411677
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(Br)c(F)c(C2(O)CC2)c1F
InChIInChI=1S/C10H9BrF2O/c1-5-4-6(11)9(13)7(8(5)12)10(14)2-3-10/h4,14H,2-3H2,1H3
InChIKeyMRBNKYNXQMEGIH-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.02
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

1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(5-bromo-2-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 171367158
2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
CID 117395622
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
CID 106941217

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol (CID 117411677) is 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol is Cc1cc(Br)c(F)c(C2(O)CC2)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol?
The InChIKey is MRBNKYNXQMEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c1-5-4-6(11)9(13)7(8(5)12)10(14)2-3-10/h4,14H,2-3H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol?
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol has a molecular weight of 263.08 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117411677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).