4-butyl-1-chloro-2-fluorobenzene

C10H12ClF — CID 20755408

IUPAC4-butyl-1-chloro-2-fluorobenzene
SMILESCCCCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClF/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4H2,1H3
InChIKeyFFPNMJWXBMTXPT-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.82
Rot. Bonds3

About 4-butyl-1-chloro-2-fluorobenzene

4-butyl-1-chloro-2-fluorobenzene (PubChem CID 20755408) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 4-butyl-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-butyl-1-chloro-2-fluorobenzene
PubChem CID20755408
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name4-butyl-1-chloro-2-fluorobenzene
SMILESCCCCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClF/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4H2,1H3
InChIKeyFFPNMJWXBMTXPT-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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Related Compounds

3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
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1-chloro-4-ethyl-2-fluorobenzene
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2,4-dibutyl-1-chlorobenzene
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1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
2-bromo-4-butyl-1-chlorobenzene
CID 50997862
2-(4-chloro-3-fluorophenyl)ethanethiol
CID 55275777
ethyl 4-(4-chloro-3-fluorophenyl)butanoate
CID 159928363
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-pentylphenanthrene
CID 139883309
2-fluoro-4-pentylaniline
CID 146198864
1-chloro-2-fluoro-4-(2-isocyanoethyl)benzene
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4-butyl-1-(2,2-difluoroethyl)-2-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-chloro-2-fluorobenzene?
The IUPAC name of 4-butyl-1-chloro-2-fluorobenzene (CID 20755408) is 4-butyl-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-butyl-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-butyl-1-chloro-2-fluorobenzene is CCCCc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-butyl-1-chloro-2-fluorobenzene?
The InChIKey is FFPNMJWXBMTXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4H2,1H3.
What are the key properties of 4-butyl-1-chloro-2-fluorobenzene?
4-butyl-1-chloro-2-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 4-butyl-1-chloro-2-fluorobenzene is sourced from PubChem (CID 20755408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).