1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one

C6F10O — CID 135221448

IUPAC1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one
SMILESO=C(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(2(8)9)4(10,6(14,15)16)3(17)5(11,12)13
InChIKeyPNRKGGSLWOYEPQ-UHFFFAOYSA-N
MW278.05 g/mol
LogP3.47
Rot. Bonds2

About 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one

1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one (PubChem CID 135221448) has the molecular formula C6F10O and a molecular weight of 278.05 g/mol. Its IUPAC name is 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one.

Molecular Properties

Compound Name1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one
PubChem CID135221448
Molecular FormulaC6F10O
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one
SMILESO=C(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(2(8)9)4(10,6(14,15)16)3(17)5(11,12)13
InChIKeyPNRKGGSLWOYEPQ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one?
The IUPAC name of 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one (CID 135221448) is 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one.
What is the SMILES notation for 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one?
The canonical SMILES for 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one is O=C(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one?
The InChIKey is PNRKGGSLWOYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O/c7-1(2(8)9)4(10,6(14,15)16)3(17)5(11,12)13.
What are the key properties of 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one?
1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one has a molecular weight of 278.05 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,5,5-heptafluoro-3-(trifluoromethyl)pent-4-en-2-one is sourced from PubChem (CID 135221448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).