1-chloro-4-(1-fluorobut-3-enyl)benzene

C10H10ClF — CID 86040171

IUPAC1-chloro-4-(1-fluorobut-3-enyl)benzene
SMILESC=CCC(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClF/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3H2
InChIKeyYUEJTQDWPISKKU-UHFFFAOYSA-N
MW184.64 g/mol
LogP3.93
Rot. Bonds3

About 1-chloro-4-(1-fluorobut-3-enyl)benzene

1-chloro-4-(1-fluorobut-3-enyl)benzene (PubChem CID 86040171) has the molecular formula C10H10ClF and a molecular weight of 184.64 g/mol. Its IUPAC name is 1-chloro-4-(1-fluorobut-3-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-fluorobut-3-enyl)benzene
PubChem CID86040171
Molecular FormulaC10H10ClF
Molecular Weight184.64 g/mol
Exact Mass184.05
IUPAC Name1-chloro-4-(1-fluorobut-3-enyl)benzene
SMILESC=CCC(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClF/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3H2
InChIKeyYUEJTQDWPISKKU-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-chlorophenyl)hex-5-enal
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1-chloro-4-(3-chloro-1-fluoropropyl)benzene
CID 23180218
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
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1-chloro-4-[(1R)-1-ethoxybut-3-enyl]benzene
CID 125492960
N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
CID 102574540
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
4-chloro-N-hepta-1,6-dien-4-ylaniline
CID 12026048
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
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CID 105218181

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-fluorobut-3-enyl)benzene?
The IUPAC name of 1-chloro-4-(1-fluorobut-3-enyl)benzene (CID 86040171) is 1-chloro-4-(1-fluorobut-3-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-fluorobut-3-enyl)benzene?
The canonical SMILES for 1-chloro-4-(1-fluorobut-3-enyl)benzene is C=CCC(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-fluorobut-3-enyl)benzene?
The InChIKey is YUEJTQDWPISKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3H2.
What are the key properties of 1-chloro-4-(1-fluorobut-3-enyl)benzene?
1-chloro-4-(1-fluorobut-3-enyl)benzene has a molecular weight of 184.64 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-fluorobut-3-enyl)benzene is sourced from PubChem (CID 86040171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).