1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene

C10H9Cl2F3 — CID 130758085

IUPAC1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
SMILESCc1cc(C(Cl)C(C)(F)F)c(Cl)cc1F
InChIInChI=1S/C10H9Cl2F3/c1-5-3-6(7(11)4-8(5)13)9(12)10(2,14)15/h3-4,9H,1-2H3
InChIKeyOZFUTTWQZTWDKC-UHFFFAOYSA-N
MW257.08 g/mol
LogP4.72
Rot. Bonds2

About 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene

1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene (PubChem CID 130758085) has the molecular formula C10H9Cl2F3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
PubChem CID130758085
Molecular FormulaC10H9Cl2F3
Molecular Weight257.08 g/mol
Exact Mass256.00
IUPAC Name1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
SMILESCc1cc(C(Cl)C(C)(F)F)c(Cl)cc1F
InChIInChI=1S/C10H9Cl2F3/c1-5-3-6(7(11)4-8(5)13)9(12)10(2,14)15/h3-4,9H,1-2H3
InChIKeyOZFUTTWQZTWDKC-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 54.72
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-chloro-2-(1-chloro-2-methyl-2-methylsulfonylpropyl)-5-fluoro-4-methylbenzene
CID 81050891
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-chloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-4-methylbenzene
CID 81047770
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
1-chloro-2-(1-chloro-3-methylbutyl)-5-fluoro-4-methylbenzene
CID 81050654
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-difluoro-5-methylbenzene
CID 79730978
1-[bromo-[4-(trifluoromethyl)phenyl]methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81047970

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene?
The IUPAC name of 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene (CID 130758085) is 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene?
The canonical SMILES for 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene is Cc1cc(C(Cl)C(C)(F)F)c(Cl)cc1F.
What is the InChIKey of 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene?
The InChIKey is OZFUTTWQZTWDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3/c1-5-3-6(7(11)4-8(5)13)9(12)10(2,14)15/h3-4,9H,1-2H3.
What are the key properties of 1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene?
1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene has a molecular weight of 257.08 g/mol, XLogP of 4.72, 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-2,2-difluoropropyl)-5-fluoro-4-methylbenzene is sourced from PubChem (CID 130758085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).