1-(4-chloroheptyl)-2-fluorobenzene

C13H18ClF — CID 64513555

IUPAC1-(4-chloroheptyl)-2-fluorobenzene
SMILESCCCC(Cl)CCCc1ccccc1F
InChIInChI=1S/C13H18ClF/c1-2-6-12(14)9-5-8-11-7-3-4-10-13(11)15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyOZPYZPQQHHBPRH-UHFFFAOYSA-N
MW228.74 g/mol
LogP4.56
Rot. Bonds6

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

1-(4-chloroheptyl)-2-fluorobenzene (PubChem CID 64513555) has the molecular formula C13H18ClF and a molecular weight of 228.74 g/mol. Its IUPAC name is 1-(4-chloroheptyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(4-chloroheptyl)-2-fluorobenzene
PubChem CID64513555
Molecular FormulaC13H18ClF
Molecular Weight228.74 g/mol
Exact Mass228.11
IUPAC Name1-(4-chloroheptyl)-2-fluorobenzene
SMILESCCCC(Cl)CCCc1ccccc1F
InChIInChI=1S/C13H18ClF/c1-2-6-12(14)9-5-8-11-7-3-4-10-13(11)15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyOZPYZPQQHHBPRH-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 54.56
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-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(4-chloro-4-phenylbutyl)-2-fluorobenzene
CID 64509582
1-fluoro-2-heptylbenzene
CID 20721019
2-chloro-1-(4-chloroheptyl)-4-fluorobenzene
CID 64516631
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
1-(3-chlorohexyl)naphthalene
CID 63461105
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973
2-butan-2-yloxycarbonyl-5-(2-fluorophenyl)pentanoic acid
CID 70551445

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroheptyl)-2-fluorobenzene?
The IUPAC name of 1-(4-chloroheptyl)-2-fluorobenzene (CID 64513555) is 1-(4-chloroheptyl)-2-fluorobenzene.
What is the SMILES notation for 1-(4-chloroheptyl)-2-fluorobenzene?
The canonical SMILES for 1-(4-chloroheptyl)-2-fluorobenzene is CCCC(Cl)CCCc1ccccc1F.
What is the InChIKey of 1-(4-chloroheptyl)-2-fluorobenzene?
The InChIKey is OZPYZPQQHHBPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF/c1-2-6-12(14)9-5-8-11-7-3-4-10-13(11)15/h3-4,7,10,12H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(4-chloroheptyl)-2-fluorobenzene?
1-(4-chloroheptyl)-2-fluorobenzene has a molecular weight of 228.74 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroheptyl)-2-fluorobenzene is sourced from PubChem (CID 64513555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).