1,3-difluoro-1,3-dihydroxypropan-2-one

C3H4F2O3 — CID 151448255

IUPAC1,3-difluoro-1,3-dihydroxypropan-2-one
SMILESO=C(C(O)F)C(O)F
InChIInChI=1S/C3H4F2O3/c4-2(7)1(6)3(5)8/h2-3,7-8H
InChIKeyPFYIOQDJEGCCMX-UHFFFAOYSA-N
MW126.06 g/mol
LogP-0.87
Rot. Bonds2

About 1,3-difluoro-1,3-dihydroxypropan-2-one

1,3-difluoro-1,3-dihydroxypropan-2-one (PubChem CID 151448255) has the molecular formula C3H4F2O3 and a molecular weight of 126.06 g/mol. Its IUPAC name is 1,3-difluoro-1,3-dihydroxypropan-2-one.

Molecular Properties

Compound Name1,3-difluoro-1,3-dihydroxypropan-2-one
PubChem CID151448255
Molecular FormulaC3H4F2O3
Molecular Weight126.06 g/mol
Exact Mass126.01
IUPAC Name1,3-difluoro-1,3-dihydroxypropan-2-one
SMILESO=C(C(O)F)C(O)F
InChIInChI=1S/C3H4F2O3/c4-2(7)1(6)3(5)8/h2-3,7-8H
InChIKeyPFYIOQDJEGCCMX-UHFFFAOYSA-N
XLogP-0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.06
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-1,3-dihydroxypropan-2-one?
The IUPAC name of 1,3-difluoro-1,3-dihydroxypropan-2-one (CID 151448255) is 1,3-difluoro-1,3-dihydroxypropan-2-one.
What is the SMILES notation for 1,3-difluoro-1,3-dihydroxypropan-2-one?
The canonical SMILES for 1,3-difluoro-1,3-dihydroxypropan-2-one is O=C(C(O)F)C(O)F.
What is the InChIKey of 1,3-difluoro-1,3-dihydroxypropan-2-one?
The InChIKey is PFYIOQDJEGCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O3/c4-2(7)1(6)3(5)8/h2-3,7-8H.
What are the key properties of 1,3-difluoro-1,3-dihydroxypropan-2-one?
1,3-difluoro-1,3-dihydroxypropan-2-one has a molecular weight of 126.06 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-1,3-dihydroxypropan-2-one is sourced from PubChem (CID 151448255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).