1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene

C11H14F2 — CID 116841558

IUPAC1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)(F)F)cc1C
InChIInChI=1S/C11H14F2/c1-7-5-9(3)10(6-8(7)2)11(4,12)13/h5-6H,1-4H3
InChIKeyCOZKXQIVLGAGIK-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.72
Rot. Bonds1

About 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene

1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene (PubChem CID 116841558) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
PubChem CID116841558
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)(F)F)cc1C
InChIInChI=1S/C11H14F2/c1-7-5-9(3)10(6-8(7)2)11(4,12)13/h5-6H,1-4H3
InChIKeyCOZKXQIVLGAGIK-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene (CID 116841558) is 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene is Cc1cc(C)c(C(C)(F)F)cc1C.
What is the InChIKey of 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene?
The InChIKey is COZKXQIVLGAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-7-5-9(3)10(6-8(7)2)11(4,12)13/h5-6H,1-4H3.
What are the key properties of 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene?
1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 116841558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).