2,2-difluoro-3-methoxypropan-1-ol

C4H8F2O2 — CID 86661942

IUPAC2,2-difluoro-3-methoxypropan-1-ol
SMILESCOCC(F)(F)CO
InChIInChI=1S/C4H8F2O2/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKeyCVPCFINYDBWLCG-UHFFFAOYSA-N
MW126.10 g/mol
LogP0.26
Rot. Bonds3

About 2,2-difluoro-3-methoxypropan-1-ol

2,2-difluoro-3-methoxypropan-1-ol (PubChem CID 86661942) has the molecular formula C4H8F2O2 and a molecular weight of 126.10 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-methoxypropan-1-ol
PubChem CID86661942
Molecular FormulaC4H8F2O2
Molecular Weight126.10 g/mol
Exact Mass126.05
IUPAC Name2,2-difluoro-3-methoxypropan-1-ol
SMILESCOCC(F)(F)CO
InChIInChI=1S/C4H8F2O2/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKeyCVPCFINYDBWLCG-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxypropan-1-ol?
The IUPAC name of 2,2-difluoro-3-methoxypropan-1-ol (CID 86661942) is 2,2-difluoro-3-methoxypropan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-methoxypropan-1-ol?
The canonical SMILES for 2,2-difluoro-3-methoxypropan-1-ol is COCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-methoxypropan-1-ol?
The InChIKey is CVPCFINYDBWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O2/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-methoxypropan-1-ol?
2,2-difluoro-3-methoxypropan-1-ol has a molecular weight of 126.10 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxypropan-1-ol is sourced from PubChem (CID 86661942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).