1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene

C12H13ClF2 — CID 107514672

IUPAC1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
SMILESC/C(=C/CCCl)c1ccc(C)c(F)c1F
InChIInChI=1S/C12H13ClF2/c1-8(4-3-7-13)10-6-5-9(2)11(14)12(10)15/h4-6H,3,7H2,1-2H3/b8-4-
InChIKeyPHAARYXOSDLJHR-YWEYNIOJSA-N
MW230.68 g/mol
LogP4.31
Rot. Bonds3

About 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene

1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene (PubChem CID 107514672) has the molecular formula C12H13ClF2 and a molecular weight of 230.68 g/mol. Its IUPAC name is 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
PubChem CID107514672
Molecular FormulaC12H13ClF2
Molecular Weight230.68 g/mol
Exact Mass230.07
IUPAC Name1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
SMILESC/C(=C/CCCl)c1ccc(C)c(F)c1F
InChIInChI=1S/C12H13ClF2/c1-8(4-3-7-13)10-6-5-9(2)11(14)12(10)15/h4-6H,3,7H2,1-2H3/b8-4-
InChIKeyPHAARYXOSDLJHR-YWEYNIOJSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 54.31
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

(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 107514686
1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
CID 79003877
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene
CID 106763763
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
CID 79019956
(Z)-4-(4-bromo-3-chloro-2-fluorophenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106763774
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 126578199
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
3-(5-chloropent-2-en-2-yl)-5-fluoropyridine
CID 79603957

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene (CID 107514672) is 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene is C/C(=C/CCCl)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene?
The InChIKey is PHAARYXOSDLJHR-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H13ClF2/c1-8(4-3-7-13)10-6-5-9(2)11(14)12(10)15/h4-6H,3,7H2,1-2H3/b8-4-.
What are the key properties of 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene?
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene has a molecular weight of 230.68 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 107514672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).