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

C4H9F2NO — CID 84731074

IUPAC1,1-difluoro-3-methoxypropan-2-amine
SMILESCOCC(N)C(F)F
InChIInChI=1S/C4H9F2NO/c1-8-2-3(7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyZYVSLHIODBCTSU-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.23
Rot. Bonds3

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

1,1-difluoro-3-methoxypropan-2-amine (PubChem CID 84731074) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 1,1-difluoro-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methoxypropan-2-amine
PubChem CID84731074
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name1,1-difluoro-3-methoxypropan-2-amine
SMILESCOCC(N)C(F)F
InChIInChI=1S/C4H9F2NO/c1-8-2-3(7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyZYVSLHIODBCTSU-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 1,1-difluoro-3-methoxypropan-2-amine?
The IUPAC name of 1,1-difluoro-3-methoxypropan-2-amine (CID 84731074) is 1,1-difluoro-3-methoxypropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-methoxypropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-methoxypropan-2-amine is COCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methoxypropan-2-amine?
The InChIKey is ZYVSLHIODBCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-8-2-3(7)4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 1,1-difluoro-3-methoxypropan-2-amine?
1,1-difluoro-3-methoxypropan-2-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 1,1-difluoro-3-methoxypropan-2-amine is sourced from PubChem (CID 84731074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).