4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene

C17H18F2 — CID 18724442

IUPAC4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H18F2/c1-11-5-7-15(9-13(11)3)17(18,19)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyKSQHXCPOCFCXMD-UHFFFAOYSA-N
MW260.33 g/mol
LogP5.06
Rot. Bonds2

About 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene

4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene (PubChem CID 18724442) has the molecular formula C17H18F2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene
PubChem CID18724442
Molecular FormulaC17H18F2
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H18F2/c1-11-5-7-15(9-13(11)3)17(18,19)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyKSQHXCPOCFCXMD-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene (CID 18724442) is 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene is Cc1ccc(C(F)(F)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene?
The InChIKey is KSQHXCPOCFCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2/c1-11-5-7-15(9-13(11)3)17(18,19)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene?
4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene has a molecular weight of 260.33 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 18724442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).