1-(5-chloropent-2-en-2-yl)-2-fluorobenzene

C11H12ClF — CID 79003877

IUPAC1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
SMILESCC(=CCCCl)c1ccccc1F
InChIInChI=1S/C11H12ClF/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3
InChIKeyFWUGWYFXKOSEHY-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene

1-(5-chloropent-2-en-2-yl)-2-fluorobenzene (PubChem CID 79003877) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
PubChem CID79003877
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
SMILESCC(=CCCCl)c1ccccc1F
InChIInChI=1S/C11H12ClF/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3
InChIKeyFWUGWYFXKOSEHY-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.86
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

1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672
1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
CID 79593117
(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499
(E)-4-(2-chlorophenyl)pent-3-en-1-amine
CID 82076101
(E)-3-(2-fluorophenyl)but-2-enal
CID 90147584
3-(2-fluorophenyl)but-2-enenitrile
CID 76913879
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
1-chloro-2-[4-chloro-1-(2-chlorophenyl)but-1-enyl]benzene
CID 135204459
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene (CID 79003877) is 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene is CC(=CCCCl)c1ccccc1F.
What is the InChIKey of 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene?
The InChIKey is FWUGWYFXKOSEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-9(5-4-8-12)10-6-2-3-7-11(10)13/h2-3,5-7H,4,8H2,1H3.
What are the key properties of 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene?
1-(5-chloropent-2-en-2-yl)-2-fluorobenzene has a molecular weight of 198.67 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropent-2-en-2-yl)-2-fluorobenzene is sourced from PubChem (CID 79003877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).