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

C11H12ClF3 — CID 64509327

IUPAC1-(3-chloropentyl)-2,3,4-trifluorobenzene
SMILESCCC(Cl)CCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12ClF3/c1-2-8(12)5-3-7-4-6-9(13)11(15)10(7)14/h4,6,8H,2-3,5H2,1H3
InChIKeyIYYLGKBYJCYEIJ-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.05
Rot. Bonds4

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

1-(3-chloropentyl)-2,3,4-trifluorobenzene (PubChem CID 64509327) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(3-chloropentyl)-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-(3-chloropentyl)-2,3,4-trifluorobenzene
PubChem CID64509327
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name1-(3-chloropentyl)-2,3,4-trifluorobenzene
SMILESCCC(Cl)CCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12ClF3/c1-2-8(12)5-3-7-4-6-9(13)11(15)10(7)14/h4,6,8H,2-3,5H2,1H3
InChIKeyIYYLGKBYJCYEIJ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64505128
1-(3-chloropropyl)-2,3,4-trifluorobenzene
CID 53433999
2-chloro-4-(3-chloropentyl)-1-fluorobenzene
CID 103040835
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64506062
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
1-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
2-chloro-3-(2,3,4-trifluorophenyl)propanenitrile
CID 82054462
1-(3-chloropentyl)naphthalene
CID 63460195

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropentyl)-2,3,4-trifluorobenzene?
The IUPAC name of 1-(3-chloropentyl)-2,3,4-trifluorobenzene (CID 64509327) is 1-(3-chloropentyl)-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-(3-chloropentyl)-2,3,4-trifluorobenzene?
The canonical SMILES for 1-(3-chloropentyl)-2,3,4-trifluorobenzene is CCC(Cl)CCc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(3-chloropentyl)-2,3,4-trifluorobenzene?
The InChIKey is IYYLGKBYJCYEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-2-8(12)5-3-7-4-6-9(13)11(15)10(7)14/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 1-(3-chloropentyl)-2,3,4-trifluorobenzene?
1-(3-chloropentyl)-2,3,4-trifluorobenzene has a molecular weight of 236.66 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropentyl)-2,3,4-trifluorobenzene is sourced from PubChem (CID 64509327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).