4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene

C11H11Cl2F — CID 114862374

IUPAC4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C/C=C/CCCl
InChIInChI=1S/C11H11Cl2F/c12-7-3-1-2-4-9-5-6-10(13)8-11(9)14/h1-2,5-6,8H,3-4,7H2/b2-1+
InChIKeyKIQVBZTXPNQMBP-OWOJBTEDSA-N
MW233.11 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene

4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene (PubChem CID 114862374) has the molecular formula C11H11Cl2F and a molecular weight of 233.11 g/mol. Its IUPAC name is 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene
PubChem CID114862374
Molecular FormulaC11H11Cl2F
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C/C=C/CCCl
InChIInChI=1S/C11H11Cl2F/c12-7-3-1-2-4-9-5-6-10(13)8-11(9)14/h1-2,5-6,8H,3-4,7H2/b2-1+
InChIKeyKIQVBZTXPNQMBP-OWOJBTEDSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(4-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 114862388
1-chloro-3-(5-chloropent-2-enyl)benzene
CID 79603692
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2,4-difluorobenzene
CID 24762264
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
CID 79603773
N-[(4-chloro-2-fluorophenyl)methyl]formamide
CID 88924911
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 173119979
5-chloro-2-[2-(4-chloro-2-fluorophenyl)ethyl]benzaldehyde
CID 89436970
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene
CID 169478438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene (CID 114862374) is 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene is Fc1cc(Cl)ccc1C/C=C/CCCl.
What is the InChIKey of 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene?
The InChIKey is KIQVBZTXPNQMBP-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H11Cl2F/c12-7-3-1-2-4-9-5-6-10(13)8-11(9)14/h1-2,5-6,8H,3-4,7H2/b2-1+.
What are the key properties of 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene?
4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene has a molecular weight of 233.11 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene is sourced from PubChem (CID 114862374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).