4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene

C12H14ClFO — CID 79603773

IUPAC4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(CC=CCCCl)cc1F
InChIInChI=1S/C12H14ClFO/c1-15-12-7-6-10(9-11(12)14)5-3-2-4-8-13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyFLBYOPQEIFMUFR-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.56
Rot. Bonds5

About 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene

4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene (PubChem CID 79603773) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
PubChem CID79603773
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(CC=CCCCl)cc1F
InChIInChI=1S/C12H14ClFO/c1-15-12-7-6-10(9-11(12)14)5-3-2-4-8-13/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyFLBYOPQEIFMUFR-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
CID 66033669
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
CID 78851396
4-(2-chloroethylsulfonyl)-2-fluoro-1-methoxybenzene
CID 82049547
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxypropan-2-amine
CID 106180890
4-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluoro-1-methoxybenzene
CID 79447677
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
1-chloro-2-(chloromethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]butan-2-amine
CID 107867108
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
[1-amino-2-(3-fluoro-4-methoxyphenyl)ethylidene]azanium
CID 6347254
4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene (CID 79603773) is 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene is COc1ccc(CC=CCCCl)cc1F.
What is the InChIKey of 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene?
The InChIKey is FLBYOPQEIFMUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c1-15-12-7-6-10(9-11(12)14)5-3-2-4-8-13/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene?
4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene has a molecular weight of 228.69 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 79603773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).