1-[bromo(cyclopropyl)methyl]-2-fluorobenzene

C10H10BrF — CID 174663726

IUPAC1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Br)C1CC1
InChIInChI=1S/C10H10BrF/c11-10(7-5-6-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2
InChIKeyZCINHWYAJAXANM-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.67
Rot. Bonds2

About 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene

1-[bromo(cyclopropyl)methyl]-2-fluorobenzene (PubChem CID 174663726) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
PubChem CID174663726
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Br)C1CC1
InChIInChI=1S/C10H10BrF/c11-10(7-5-6-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2
InChIKeyZCINHWYAJAXANM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116907240
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene (CID 174663726) is 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene is Fc1ccccc1C(Br)C1CC1.
What is the InChIKey of 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene?
The InChIKey is ZCINHWYAJAXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-10(7-5-6-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2.
What are the key properties of 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene?
1-[bromo(cyclopropyl)methyl]-2-fluorobenzene has a molecular weight of 229.09 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(cyclopropyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 174663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).