1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene

C12H15ClF2 — CID 63433611

IUPAC1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
SMILESCCCC(C)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C12H15ClF2/c1-3-4-8(2)12(13)10-6-5-9(14)7-11(10)15/h5-8,12H,3-4H2,1-2H3
InChIKeyIBPNDVRJAQHCQU-UHFFFAOYSA-N
MW232.70 g/mol
LogP4.68
Rot. Bonds4

About 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene

1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene (PubChem CID 63433611) has the molecular formula C12H15ClF2 and a molecular weight of 232.70 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
PubChem CID63433611
Molecular FormulaC12H15ClF2
Molecular Weight232.70 g/mol
Exact Mass232.08
IUPAC Name1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
SMILESCCCC(C)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C12H15ClF2/c1-3-4-8(2)12(13)10-6-5-9(14)7-11(10)15/h5-8,12H,3-4H2,1-2H3
InChIKeyIBPNDVRJAQHCQU-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 54.68
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

2-(1-chloro-2-methylpentyl)-4-fluoro-1-methoxybenzene
CID 63432919
2-(1-chloro-2-methylbutyl)-1,4-difluorobenzene
CID 61086565
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
1-(2,4-difluorophenyl)-2-methoxypentan-1-ol
CID 116711662
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene?
The IUPAC name of 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene (CID 63433611) is 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene is CCCC(C)C(Cl)c1ccc(F)cc1F.
What is the InChIKey of 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene?
The InChIKey is IBPNDVRJAQHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2/c1-3-4-8(2)12(13)10-6-5-9(14)7-11(10)15/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene?
1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene has a molecular weight of 232.70 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene is sourced from PubChem (CID 63433611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).