3,3-difluoro-2-methoxypropan-1-amine

C4H9F2NO — CID 84731073

IUPAC3,3-difluoro-2-methoxypropan-1-amine
SMILESCOC(CN)C(F)F
InChIInChI=1S/C4H9F2NO/c1-8-3(2-7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyXQWJMNHCQSQVQW-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.23
Rot. Bonds3

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

3,3-difluoro-2-methoxypropan-1-amine (PubChem CID 84731073) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3,3-difluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-methoxypropan-1-amine
PubChem CID84731073
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3,3-difluoro-2-methoxypropan-1-amine
SMILESCOC(CN)C(F)F
InChIInChI=1S/C4H9F2NO/c1-8-3(2-7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyXQWJMNHCQSQVQW-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methoxypropan-1-amine?
The IUPAC name of 3,3-difluoro-2-methoxypropan-1-amine (CID 84731073) is 3,3-difluoro-2-methoxypropan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-methoxypropan-1-amine?
The canonical SMILES for 3,3-difluoro-2-methoxypropan-1-amine is COC(CN)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methoxypropan-1-amine?
The InChIKey is XQWJMNHCQSQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-8-3(2-7)4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 3,3-difluoro-2-methoxypropan-1-amine?
3,3-difluoro-2-methoxypropan-1-amine has a molecular weight of 125.12 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 84731073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).