3,3-difluoro-6-hydroxyhexan-2-one

C6H10F2O2 — CID 45119019

IUPAC3,3-difluoro-6-hydroxyhexan-2-one
SMILESCC(=O)C(F)(F)CCCO
InChIInChI=1S/C6H10F2O2/c1-5(10)6(7,8)3-2-4-9/h9H,2-4H2,1H3
InChIKeySSORPTBYHRLLGD-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.98
Rot. Bonds4

About 3,3-difluoro-6-hydroxyhexan-2-one

3,3-difluoro-6-hydroxyhexan-2-one (PubChem CID 45119019) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 3,3-difluoro-6-hydroxyhexan-2-one.

Molecular Properties

Compound Name3,3-difluoro-6-hydroxyhexan-2-one
PubChem CID45119019
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name3,3-difluoro-6-hydroxyhexan-2-one
SMILESCC(=O)C(F)(F)CCCO
InChIInChI=1S/C6H10F2O2/c1-5(10)6(7,8)3-2-4-9/h9H,2-4H2,1H3
InChIKeySSORPTBYHRLLGD-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-hydroxyhexan-2-one?
The IUPAC name of 3,3-difluoro-6-hydroxyhexan-2-one (CID 45119019) is 3,3-difluoro-6-hydroxyhexan-2-one.
What is the SMILES notation for 3,3-difluoro-6-hydroxyhexan-2-one?
The canonical SMILES for 3,3-difluoro-6-hydroxyhexan-2-one is CC(=O)C(F)(F)CCCO.
What is the InChIKey of 3,3-difluoro-6-hydroxyhexan-2-one?
The InChIKey is SSORPTBYHRLLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-5(10)6(7,8)3-2-4-9/h9H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-6-hydroxyhexan-2-one?
3,3-difluoro-6-hydroxyhexan-2-one has a molecular weight of 152.14 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-hydroxyhexan-2-one is sourced from PubChem (CID 45119019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).