1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene

C6F12O — CID 141341635

IUPAC1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F6O.C3F6/c4-2(5,6)1(10)3(7,8)9;4-1(2(5)6)3(7,8)9
InChIKeyKWCJRCJOSSAJDB-UHFFFAOYSA-N
MW316.04 g/mol
LogP4.31
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene

1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene (PubChem CID 141341635) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene
PubChem CID141341635
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F6O.C3F6/c4-2(5,6)1(10)3(7,8)9;4-1(2(5)6)3(7,8)9
InChIKeyKWCJRCJOSSAJDB-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Perfluorovinyl ketone
CID 87774558
Perfluoro-penten-3-en-2-one
CID 129816729
1,1,1,3,4,4-Hexafluorobut-3-en-2-one
CID 130027398
1,1,1,3,3,3-Hexafluoropropan-2-one;1,1,2,2-tetrafluoroethene
CID 158302323
1,1,1,2,2,4,4,5,5,5-Decafluoropentan-3-one;1,1,2,2-tetrafluoroethene
CID 174941938

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene (CID 141341635) is 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene is FC(F)=C(F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene?
The InChIKey is KWCJRCJOSSAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.C3F6/c4-2(5,6)1(10)3(7,8)9;4-1(2(5)6)3(7,8)9.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene?
1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene has a molecular weight of 316.04 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene is sourced from PubChem (CID 141341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).