5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene

C10H9BrClF — CID 171633795

IUPAC5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2c(F)cc(Br)cc2Cl)CC1
InChIInChI=1S/C10H9BrClF/c1-10(2-3-10)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3
InChIKeyWMIDDHCHDXJQJC-UHFFFAOYSA-N
MW263.54 g/mol
LogP4.29
Rot. Bonds1

About 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene

5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene (PubChem CID 171633795) has the molecular formula C10H9BrClF and a molecular weight of 263.54 g/mol. Its IUPAC name is 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene
PubChem CID171633795
Molecular FormulaC10H9BrClF
Molecular Weight263.54 g/mol
Exact Mass261.96
IUPAC Name5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2c(F)cc(Br)cc2Cl)CC1
InChIInChI=1S/C10H9BrClF/c1-10(2-3-10)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3
InChIKeyWMIDDHCHDXJQJC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene?
The IUPAC name of 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene (CID 171633795) is 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene?
The canonical SMILES for 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene is CC1(c2c(F)cc(Br)cc2Cl)CC1.
What is the InChIKey of 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene?
The InChIKey is WMIDDHCHDXJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF/c1-10(2-3-10)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene?
5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene has a molecular weight of 263.54 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-3-fluoro-2-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 171633795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).