1,1,1-trifluoropentan-3-one

C5H7F3O — CID 12759147

IUPAC1,1,1-trifluoropentan-3-one
SMILESCCC(=O)CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2-3H2,1H3
InChIKeyYBTCBNQUROAZJL-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.92
Rot. Bonds2

About 1,1,1-trifluoropentan-3-one

1,1,1-trifluoropentan-3-one (PubChem CID 12759147) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 1,1,1-trifluoropentan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoropentan-3-one
PubChem CID12759147
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name1,1,1-trifluoropentan-3-one
SMILESCCC(=O)CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2-3H2,1H3
InChIKeyYBTCBNQUROAZJL-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropentan-3-one?
The IUPAC name of 1,1,1-trifluoropentan-3-one (CID 12759147) is 1,1,1-trifluoropentan-3-one.
What is the SMILES notation for 1,1,1-trifluoropentan-3-one?
The canonical SMILES for 1,1,1-trifluoropentan-3-one is CCC(=O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropentan-3-one?
The InChIKey is YBTCBNQUROAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-4(9)3-5(6,7)8/h2-3H2,1H3.
What are the key properties of 1,1,1-trifluoropentan-3-one?
1,1,1-trifluoropentan-3-one has a molecular weight of 140.10 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropentan-3-one is sourced from PubChem (CID 12759147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).