1-(3-chloropropyl)-3-ethyl-5-fluorobenzene

C11H14ClF — CID 118824600

IUPAC1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
SMILESCCc1cc(F)cc(CCCCl)c1
InChIInChI=1S/C11H14ClF/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3
InChIKeyIUGSGWMTHAMPBC-UHFFFAOYSA-N
MW200.68 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene

1-(3-chloropropyl)-3-ethyl-5-fluorobenzene (PubChem CID 118824600) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
PubChem CID118824600
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
SMILESCCc1cc(F)cc(CCCCl)c1
InChIInChI=1S/C11H14ClF/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3
InChIKeyIUGSGWMTHAMPBC-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 53.56
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-(3-chloropropyl)-3-ethyl-5-fluorobenzene?
The IUPAC name of 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene (CID 118824600) is 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene.
What is the SMILES notation for 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene?
The canonical SMILES for 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene is CCc1cc(F)cc(CCCCl)c1.
What is the InChIKey of 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene?
The InChIKey is IUGSGWMTHAMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3.
What are the key properties of 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene?
1-(3-chloropropyl)-3-ethyl-5-fluorobenzene has a molecular weight of 200.68 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-ethyl-5-fluorobenzene is sourced from PubChem (CID 118824600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).