1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene

C10H10BrF — CID 165403155

IUPAC1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene
SMILESFC1(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C10H10BrF/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4H,5-7H2
InChIKeyNNHOCCAKRYSHJQ-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.54
Rot. Bonds2

About 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene

1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene (PubChem CID 165403155) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene
PubChem CID165403155
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene
SMILESFC1(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C10H10BrF/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4H,5-7H2
InChIKeyNNHOCCAKRYSHJQ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)phenyl]cyclopropan-1-ol
CID 131145025
[4-(1-fluorocyclopropyl)phenyl]methyl formate
CID 171720322
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
CID 142989698
2-[4-(4-fluoropiperidin-4-yl)phenyl]ethanamine
CID 84725143
1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
CID 134163283
methyl 1-[4-(bromomethyl)phenyl]cyclopent-3-ene-1-carboxylate
CID 19090689
1-(bromomethyl)-4-(1-methylcyclopentyl)benzene;formaldehyde;2-methylpropan-2-ol
CID 142022992
magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
(1-fluorocyclopentyl)benzene
CID 67593041

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene?
The IUPAC name of 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene (CID 165403155) is 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene is FC1(c2ccc(CBr)cc2)CC1.
What is the InChIKey of 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene?
The InChIKey is NNHOCCAKRYSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4H,5-7H2.
What are the key properties of 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene?
1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene has a molecular weight of 229.09 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene is sourced from PubChem (CID 165403155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).