1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene

C10H10Cl2F2 — CID 107477429

IUPAC1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
SMILESCC(C)C(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H10Cl2F2/c1-5(2)10(12)6-3-8(13)9(14)4-7(6)11/h3-5,10H,1-2H3
InChIKeyOJLMQSAPQRJVGZ-UHFFFAOYSA-N
MW239.09 g/mol
LogP4.55
Rot. Bonds2

About 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene

1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene (PubChem CID 107477429) has the molecular formula C10H10Cl2F2 and a molecular weight of 239.09 g/mol. Its IUPAC name is 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
PubChem CID107477429
Molecular FormulaC10H10Cl2F2
Molecular Weight239.09 g/mol
Exact Mass238.01
IUPAC Name1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
SMILESCC(C)C(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H10Cl2F2/c1-5(2)10(12)6-3-8(13)9(14)4-7(6)11/h3-5,10H,1-2H3
InChIKeyOJLMQSAPQRJVGZ-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2-chloro-4,5-difluorophenyl)-2,3-dimethylbutan-1-ol
CID 107477205
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 107477055
1-chloro-2-[chloro-(4-methylphenyl)methyl]-4,5-difluorobenzene
CID 107477447
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
CID 130706083
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
CID 107477246
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4,5-difluorobenzene
CID 107477375
1-(2-chloro-4,5-difluorophenyl)-3,3-dimethylbutan-1-amine
CID 103852510

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene (CID 107477429) is 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene is CC(C)C(Cl)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene?
The InChIKey is OJLMQSAPQRJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2/c1-5(2)10(12)6-3-8(13)9(14)4-7(6)11/h3-5,10H,1-2H3.
What are the key properties of 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene?
1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene has a molecular weight of 239.09 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene is sourced from PubChem (CID 107477429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).