1-(1-chloropropyl)-4-fluorobenzene

C9H10ClF — CID 43114936

IUPAC1-(1-chloropropyl)-4-fluorobenzene
SMILESCCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClF/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyQKVNOVMCALSEMW-UHFFFAOYSA-N
MW172.63 g/mol
LogP3.52
Rot. Bonds2

About 1-(1-chloropropyl)-4-fluorobenzene

1-(1-chloropropyl)-4-fluorobenzene (PubChem CID 43114936) has the molecular formula C9H10ClF and a molecular weight of 172.63 g/mol. Its IUPAC name is 1-(1-chloropropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloropropyl)-4-fluorobenzene
PubChem CID43114936
Molecular FormulaC9H10ClF
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name1-(1-chloropropyl)-4-fluorobenzene
SMILESCCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClF/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyQKVNOVMCALSEMW-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropyl)-4-fluorobenzene?
The IUPAC name of 1-(1-chloropropyl)-4-fluorobenzene (CID 43114936) is 1-(1-chloropropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-chloropropyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-chloropropyl)-4-fluorobenzene is CCC(Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(1-chloropropyl)-4-fluorobenzene?
The InChIKey is QKVNOVMCALSEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of 1-(1-chloropropyl)-4-fluorobenzene?
1-(1-chloropropyl)-4-fluorobenzene has a molecular weight of 172.63 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)-4-fluorobenzene is sourced from PubChem (CID 43114936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).