2-butyl-1-chloro-3-fluorobenzene

C10H12ClF — CID 14661928

IUPAC2-butyl-1-chloro-3-fluorobenzene
SMILESCCCCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClF/c1-2-3-5-8-9(11)6-4-7-10(8)12/h4,6-7H,2-3,5H2,1H3
InChIKeyCRJKEJPRGAEQLZ-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.82
Rot. Bonds3

About 2-butyl-1-chloro-3-fluorobenzene

2-butyl-1-chloro-3-fluorobenzene (PubChem CID 14661928) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 2-butyl-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-butyl-1-chloro-3-fluorobenzene
PubChem CID14661928
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name2-butyl-1-chloro-3-fluorobenzene
SMILESCCCCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClF/c1-2-3-5-8-9(11)6-4-7-10(8)12/h4,6-7H,2-3,5H2,1H3
InChIKeyCRJKEJPRGAEQLZ-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-chloro-3-fluorobenzene?
The IUPAC name of 2-butyl-1-chloro-3-fluorobenzene (CID 14661928) is 2-butyl-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-butyl-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-butyl-1-chloro-3-fluorobenzene is CCCCc1c(F)cccc1Cl.
What is the InChIKey of 2-butyl-1-chloro-3-fluorobenzene?
The InChIKey is CRJKEJPRGAEQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-2-3-5-8-9(11)6-4-7-10(8)12/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-butyl-1-chloro-3-fluorobenzene?
2-butyl-1-chloro-3-fluorobenzene has a molecular weight of 186.66 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-chloro-3-fluorobenzene is sourced from PubChem (CID 14661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).