1-(4-chloropentyl)-2,3-difluorobenzene

C11H13ClF2 — CID 64516100

IUPAC1-(4-chloropentyl)-2,3-difluorobenzene
SMILESCC(Cl)CCCc1cccc(F)c1F
InChIInChI=1S/C11H13ClF2/c1-8(12)4-2-5-9-6-3-7-10(13)11(9)14/h3,6-8H,2,4-5H2,1H3
InChIKeyJWALCFSDXJNSLW-UHFFFAOYSA-N
MW218.67 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-chloropentyl)-2,3-difluorobenzene

1-(4-chloropentyl)-2,3-difluorobenzene (PubChem CID 64516100) has the molecular formula C11H13ClF2 and a molecular weight of 218.67 g/mol. Its IUPAC name is 1-(4-chloropentyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-chloropentyl)-2,3-difluorobenzene
PubChem CID64516100
Molecular FormulaC11H13ClF2
Molecular Weight218.67 g/mol
Exact Mass218.07
IUPAC Name1-(4-chloropentyl)-2,3-difluorobenzene
SMILESCC(Cl)CCCc1cccc(F)c1F
InChIInChI=1S/C11H13ClF2/c1-8(12)4-2-5-9-6-3-7-10(13)11(9)14/h3,6-8H,2,4-5H2,1H3
InChIKeyJWALCFSDXJNSLW-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.67
LogP ≤ 53.91
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-chlorobutyl)-2-fluoro-3-methylbenzene
CID 130921212
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(4-chloro-2,2-dimethylpentyl)-2,3-difluorobenzene
CID 64715152
6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
CID 112654544
1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropentyl)-2,3-difluorobenzene?
The IUPAC name of 1-(4-chloropentyl)-2,3-difluorobenzene (CID 64516100) is 1-(4-chloropentyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-chloropentyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(4-chloropentyl)-2,3-difluorobenzene is CC(Cl)CCCc1cccc(F)c1F.
What is the InChIKey of 1-(4-chloropentyl)-2,3-difluorobenzene?
The InChIKey is JWALCFSDXJNSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2/c1-8(12)4-2-5-9-6-3-7-10(13)11(9)14/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 1-(4-chloropentyl)-2,3-difluorobenzene?
1-(4-chloropentyl)-2,3-difluorobenzene has a molecular weight of 218.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropentyl)-2,3-difluorobenzene is sourced from PubChem (CID 64516100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).