1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene

C9H8BrClF2 — CID 69129955

IUPAC1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
SMILESFCCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H8BrClF2/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4H,1-2,5H2
InChIKeyFEMQYULGCLQVIQ-UHFFFAOYSA-N
MW269.52 g/mol
LogP4.14
Rot. Bonds3

About 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene

1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene (PubChem CID 69129955) has the molecular formula C9H8BrClF2 and a molecular weight of 269.52 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
PubChem CID69129955
Molecular FormulaC9H8BrClF2
Molecular Weight269.52 g/mol
Exact Mass267.95
IUPAC Name1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
SMILESFCCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H8BrClF2/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4H,1-2,5H2
InChIKeyFEMQYULGCLQVIQ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.52
LogP ≤ 54.14
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

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CID 69129583
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3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
1-bromo-4-chloro-2-fluoro-3-(isocyanatomethyl)benzene
CID 117415975
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
CID 130140819

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene?
The IUPAC name of 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene (CID 69129955) is 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene.
What is the SMILES notation for 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene?
The canonical SMILES for 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene is FCCCc1c(Cl)ccc(Br)c1F.
What is the InChIKey of 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene?
The InChIKey is FEMQYULGCLQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4H,1-2,5H2.
What are the key properties of 1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene?
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene has a molecular weight of 269.52 g/mol, XLogP of 4.14, 3 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-fluoro-3-(3-fluoropropyl)benzene is sourced from PubChem (CID 69129955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).