1-(4-chlorohexyl)-2-fluorobenzene

C12H16ClF — CID 64507075

IUPAC1-(4-chlorohexyl)-2-fluorobenzene
SMILESCCC(Cl)CCCc1ccccc1F
InChIInChI=1S/C12H16ClF/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-4,6,9,11H,2,5,7-8H2,1H3
InChIKeyTUTJTOGRDIYVMZ-UHFFFAOYSA-N
MW214.71 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-chlorohexyl)-2-fluorobenzene

1-(4-chlorohexyl)-2-fluorobenzene (PubChem CID 64507075) has the molecular formula C12H16ClF and a molecular weight of 214.71 g/mol. Its IUPAC name is 1-(4-chlorohexyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(4-chlorohexyl)-2-fluorobenzene
PubChem CID64507075
Molecular FormulaC12H16ClF
Molecular Weight214.71 g/mol
Exact Mass214.09
IUPAC Name1-(4-chlorohexyl)-2-fluorobenzene
SMILESCCC(Cl)CCCc1ccccc1F
InChIInChI=1S/C12H16ClF/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-4,6,9,11H,2,5,7-8H2,1H3
InChIKeyTUTJTOGRDIYVMZ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-chlorohexyl)-2-fluorobenzene 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

1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
1-(4-chloro-4-phenylbutyl)-2-fluorobenzene
CID 64509582
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973
1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
CID 20523347
1-fluoro-2-heptylbenzene
CID 20721019
1-[4-chlorohexoxy-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 139851815
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
2-butan-2-yloxycarbonyl-5-(2-fluorophenyl)pentanoic acid
CID 70551445
4-(2-fluorophenyl)butan-2-ol
CID 12618518
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorohexyl)-2-fluorobenzene?
The IUPAC name of 1-(4-chlorohexyl)-2-fluorobenzene (CID 64507075) is 1-(4-chlorohexyl)-2-fluorobenzene.
What is the SMILES notation for 1-(4-chlorohexyl)-2-fluorobenzene?
The canonical SMILES for 1-(4-chlorohexyl)-2-fluorobenzene is CCC(Cl)CCCc1ccccc1F.
What is the InChIKey of 1-(4-chlorohexyl)-2-fluorobenzene?
The InChIKey is TUTJTOGRDIYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h3-4,6,9,11H,2,5,7-8H2,1H3.
What are the key properties of 1-(4-chlorohexyl)-2-fluorobenzene?
1-(4-chlorohexyl)-2-fluorobenzene has a molecular weight of 214.71 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorohexyl)-2-fluorobenzene is sourced from PubChem (CID 64507075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).