1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene

C10H9Cl2F — CID 170498718

IUPAC1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(C=CCCCl)c1
InChIInChI=1S/C10H9Cl2F/c11-4-2-1-3-8-5-9(12)7-10(13)6-8/h1,3,5-7H,2,4H2
InChIKeyDZGGRQXNLQOCCO-UHFFFAOYSA-N
MW219.09 g/mol
LogP4.12
Rot. Bonds3

About 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene

1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene (PubChem CID 170498718) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
PubChem CID170498718
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(C=CCCCl)c1
InChIInChI=1S/C10H9Cl2F/c11-4-2-1-3-8-5-9(12)7-10(13)6-8/h1,3,5-7H,2,4H2
InChIKeyDZGGRQXNLQOCCO-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-5-fluorophenyl)prop-2-ene-1-thiol
CID 169454710
4-(3-chloro-5-fluorophenyl)but-3-enal
CID 170481430
1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
CID 170500180
1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
2-(4-chlorobut-1-enyl)-5-fluoro-1,3-dimethylbenzene
CID 170498963
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
1-chloro-3,5-difluorobenzene
CID 159732874
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene?
The IUPAC name of 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene (CID 170498718) is 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene?
The canonical SMILES for 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene is Fc1cc(Cl)cc(C=CCCCl)c1.
What is the InChIKey of 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene?
The InChIKey is DZGGRQXNLQOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F/c11-4-2-1-3-8-5-9(12)7-10(13)6-8/h1,3,5-7H,2,4H2.
What are the key properties of 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene?
1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene has a molecular weight of 219.09 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene is sourced from PubChem (CID 170498718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).