1-(6-chlorohexan-2-yl)-2,4-difluorobenzene

C12H15ClF2 — CID 91591795

IUPAC1-(6-chlorohexan-2-yl)-2,4-difluorobenzene
SMILESCC(CCCCCl)c1ccc(F)cc1F
InChIInChI=1S/C12H15ClF2/c1-9(4-2-3-7-13)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyIDDNKOWKFCGFKK-UHFFFAOYSA-N
MW232.70 g/mol
LogP4.48
Rot. Bonds5

About 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene

1-(6-chlorohexan-2-yl)-2,4-difluorobenzene (PubChem CID 91591795) has the molecular formula C12H15ClF2 and a molecular weight of 232.70 g/mol. Its IUPAC name is 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(6-chlorohexan-2-yl)-2,4-difluorobenzene
PubChem CID91591795
Molecular FormulaC12H15ClF2
Molecular Weight232.70 g/mol
Exact Mass232.08
IUPAC Name1-(6-chlorohexan-2-yl)-2,4-difluorobenzene
SMILESCC(CCCCCl)c1ccc(F)cc1F
InChIInChI=1S/C12H15ClF2/c1-9(4-2-3-7-13)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyIDDNKOWKFCGFKK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
CID 63433611
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene?
The IUPAC name of 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene (CID 91591795) is 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene?
The canonical SMILES for 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene is CC(CCCCCl)c1ccc(F)cc1F.
What is the InChIKey of 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene?
The InChIKey is IDDNKOWKFCGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2/c1-9(4-2-3-7-13)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene?
1-(6-chlorohexan-2-yl)-2,4-difluorobenzene has a molecular weight of 232.70 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexan-2-yl)-2,4-difluorobenzene is sourced from PubChem (CID 91591795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).