2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene

C11H13ClF2 — CID 130605234

IUPAC2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)C(C)(F)F)c1
InChIInChI=1S/C11H13ClF2/c1-7-4-5-8(2)9(6-7)10(12)11(3,13)14/h4-6,10H,1-3H3
InChIKeyRUZGICHATRGMCW-UHFFFAOYSA-N
MW218.67 g/mol
LogP4.24
Rot. Bonds2

About 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene

2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene (PubChem CID 130605234) has the molecular formula C11H13ClF2 and a molecular weight of 218.67 g/mol. Its IUPAC name is 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
PubChem CID130605234
Molecular FormulaC11H13ClF2
Molecular Weight218.67 g/mol
Exact Mass218.07
IUPAC Name2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)C(C)(F)F)c1
InChIInChI=1S/C11H13ClF2/c1-7-4-5-8(2)9(6-7)10(12)11(3,13)14/h4-6,10H,1-3H3
InChIKeyRUZGICHATRGMCW-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.67
LogP ≤ 54.24
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-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
CID 130758085
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
2-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-1,4-dimethylbenzene
CID 103210607
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene (CID 130605234) is 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(Cl)C(C)(F)F)c1.
What is the InChIKey of 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene?
The InChIKey is RUZGICHATRGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2/c1-7-4-5-8(2)9(6-7)10(12)11(3,13)14/h4-6,10H,1-3H3.
What are the key properties of 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene?
2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene has a molecular weight of 218.67 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene is sourced from PubChem (CID 130605234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).