5,6,6-trifluorohex-5-en-2-one

C6H7F3O — CID 10964690

IUPAC5,6,6-trifluorohex-5-en-2-one
SMILESCC(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-4(10)2-3-5(7)6(8)9/h2-3H2,1H3
InChIKeySUQPKJLPGSQERM-UHFFFAOYSA-N
MW152.11 g/mol
LogP2.43
Rot. Bonds3

About 5,6,6-trifluorohex-5-en-2-one

5,6,6-trifluorohex-5-en-2-one (PubChem CID 10964690) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 5,6,6-trifluorohex-5-en-2-one.

Molecular Properties

Compound Name5,6,6-trifluorohex-5-en-2-one
PubChem CID10964690
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name5,6,6-trifluorohex-5-en-2-one
SMILESCC(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-4(10)2-3-5(7)6(8)9/h2-3H2,1H3
InChIKeySUQPKJLPGSQERM-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,6-trifluorohex-5-en-2-one?
The IUPAC name of 5,6,6-trifluorohex-5-en-2-one (CID 10964690) is 5,6,6-trifluorohex-5-en-2-one.
What is the SMILES notation for 5,6,6-trifluorohex-5-en-2-one?
The canonical SMILES for 5,6,6-trifluorohex-5-en-2-one is CC(=O)CCC(F)=C(F)F.
What is the InChIKey of 5,6,6-trifluorohex-5-en-2-one?
The InChIKey is SUQPKJLPGSQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-4(10)2-3-5(7)6(8)9/h2-3H2,1H3.
What are the key properties of 5,6,6-trifluorohex-5-en-2-one?
5,6,6-trifluorohex-5-en-2-one has a molecular weight of 152.11 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trifluorohex-5-en-2-one is sourced from PubChem (CID 10964690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).