1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene

C13H16F2 — CID 116841761

IUPAC1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene
SMILESCc1ccc(C(F)(F)C2CC2)c(C)c1C
InChIInChI=1S/C13H16F2/c1-8-4-7-12(10(3)9(8)2)13(14,15)11-5-6-11/h4,7,11H,5-6H2,1-3H3
InChIKeyPDFZXZOMRANJIG-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.11
Rot. Bonds2

About 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene

1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene (PubChem CID 116841761) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene
PubChem CID116841761
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene
SMILESCc1ccc(C(F)(F)C2CC2)c(C)c1C
InChIInChI=1S/C13H16F2/c1-8-4-7-12(10(3)9(8)2)13(14,15)11-5-6-11/h4,7,11H,5-6H2,1-3H3
InChIKeyPDFZXZOMRANJIG-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
1,3-Diisopropylbenzene
CID 7450
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
Bis(1-methylethyl)benzene
CID 11345
Curcumene
CID 92139
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
1,4-Diisopropylbenzene
CID 7486
1,2-Dimethyl-4-ethylbenzene
CID 13629
Durene
CID 7269
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene?
The IUPAC name of 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene (CID 116841761) is 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene?
The canonical SMILES for 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene is Cc1ccc(C(F)(F)C2CC2)c(C)c1C.
What is the InChIKey of 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene?
The InChIKey is PDFZXZOMRANJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-8-4-7-12(10(3)9(8)2)13(14,15)11-5-6-11/h4,7,11H,5-6H2,1-3H3.
What are the key properties of 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene?
1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene has a molecular weight of 210.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene is sourced from PubChem (CID 116841761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).