1,1-difluoropropan-2-one;propan-2-one

C6H10F2O2 — CID 157104644

IUPAC1,1-difluoropropan-2-one;propan-2-one
SMILESCC(=O)C(F)F.CC(C)=O
InChIInChI=1S/C3H4F2O.C3H6O/c1-2(6)3(4)5;1-3(2)4/h3H,1H3;1-2H3
InChIKeyAGDVLTNDIQURJV-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.44
Rot. Bonds1

About 1,1-difluoropropan-2-one;propan-2-one

1,1-difluoropropan-2-one;propan-2-one (PubChem CID 157104644) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 1,1-difluoropropan-2-one;propan-2-one.

Molecular Properties

Compound Name1,1-difluoropropan-2-one;propan-2-one
PubChem CID157104644
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name1,1-difluoropropan-2-one;propan-2-one
SMILESCC(=O)C(F)F.CC(C)=O
InChIInChI=1S/C3H4F2O.C3H6O/c1-2(6)3(4)5;1-3(2)4/h3H,1H3;1-2H3
InChIKeyAGDVLTNDIQURJV-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropan-2-one;propan-2-one?
The IUPAC name of 1,1-difluoropropan-2-one;propan-2-one (CID 157104644) is 1,1-difluoropropan-2-one;propan-2-one.
What is the SMILES notation for 1,1-difluoropropan-2-one;propan-2-one?
The canonical SMILES for 1,1-difluoropropan-2-one;propan-2-one is CC(=O)C(F)F.CC(C)=O.
What is the InChIKey of 1,1-difluoropropan-2-one;propan-2-one?
The InChIKey is AGDVLTNDIQURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O.C3H6O/c1-2(6)3(4)5;1-3(2)4/h3H,1H3;1-2H3.
What are the key properties of 1,1-difluoropropan-2-one;propan-2-one?
1,1-difluoropropan-2-one;propan-2-one has a molecular weight of 152.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropan-2-one;propan-2-one is sourced from PubChem (CID 157104644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).