1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene

C10H9BrClF — CID 165123105

IUPAC1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene
SMILESFc1cc(Br)c(CC2CC2)cc1Cl
InChIInChI=1S/C10H9BrClF/c11-8-5-10(13)9(12)4-7(8)3-6-1-2-6/h4-6H,1-3H2
InChIKeyNHOVCILCTLSHPF-UHFFFAOYSA-N
MW263.54 g/mol
LogP4.19
Rot. Bonds2

About 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene

1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene (PubChem CID 165123105) has the molecular formula C10H9BrClF and a molecular weight of 263.54 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene
PubChem CID165123105
Molecular FormulaC10H9BrClF
Molecular Weight263.54 g/mol
Exact Mass261.96
IUPAC Name1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene
SMILESFc1cc(Br)c(CC2CC2)cc1Cl
InChIInChI=1S/C10H9BrClF/c11-8-5-10(13)9(12)4-7(8)3-6-1-2-6/h4-6H,1-3H2
InChIKeyNHOVCILCTLSHPF-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 68614790
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
3-(2-bromo-5-chloro-4-fluorophenyl)propanoyl chloride
CID 156859298
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
CID 162091541
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene?
The IUPAC name of 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene (CID 165123105) is 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene?
The canonical SMILES for 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene is Fc1cc(Br)c(CC2CC2)cc1Cl.
What is the InChIKey of 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene?
The InChIKey is NHOVCILCTLSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF/c11-8-5-10(13)9(12)4-7(8)3-6-1-2-6/h4-6H,1-3H2.
What are the key properties of 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene?
1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene has a molecular weight of 263.54 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene is sourced from PubChem (CID 165123105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).