2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene

C10H10BrF — CID 165123188

IUPAC2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
SMILESFc1ccc(CC2CC2)c(Br)c1
InChIInChI=1S/C10H10BrF/c11-10-6-9(12)4-3-8(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyPRWKCGWGGKDPTA-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.54
Rot. Bonds2

About 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene

2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene (PubChem CID 165123188) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
PubChem CID165123188
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
SMILESFc1ccc(CC2CC2)c(Br)c1
InChIInChI=1S/C10H10BrF/c11-10-6-9(12)4-3-8(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyPRWKCGWGGKDPTA-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

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
2-bromo-1-[(2-bromo-5-propylcyclohexyl)methyl]-4-fluorobenzene
CID 63470892
2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63403844
cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
CID 86801392
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene
CID 165123105
4-[(2-bromo-4-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261455
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
CID 43560333
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458821

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene (CID 165123188) is 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene is Fc1ccc(CC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene?
The InChIKey is PRWKCGWGGKDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-10-6-9(12)4-3-8(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene?
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene 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 2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene is sourced from PubChem (CID 165123188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).