4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene

C11H10F6 — CID 87608464

IUPAC4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(C(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6/c1-6-3-4-8(5-7(6)2)10(14,9(12)13)11(15,16)17/h3-5,9H,1-2H3
InChIKeyUROWOHRYOAHKBC-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.30
Rot. Bonds2

About 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene

4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene (PubChem CID 87608464) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene
PubChem CID87608464
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(C(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6/c1-6-3-4-8(5-7(6)2)10(14,9(12)13)11(15,16)17/h3-5,9H,1-2H3
InChIKeyUROWOHRYOAHKBC-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene (CID 87608464) is 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene is Cc1ccc(C(F)(C(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene?
The InChIKey is UROWOHRYOAHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-6-3-4-8(5-7(6)2)10(14,9(12)13)11(15,16)17/h3-5,9H,1-2H3.
What are the key properties of 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene?
4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene has a molecular weight of 256.19 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene is sourced from PubChem (CID 87608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).