1,1,1-trifluoro-3-methoxypropan-2-amine

C4H8F3NO — CID 64984805

IUPAC1,1,1-trifluoro-3-methoxypropan-2-amine
SMILESCOCC(N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-2-3(8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyFMXMGKMGLWWJQU-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.52
Rot. Bonds2

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

1,1,1-trifluoro-3-methoxypropan-2-amine (PubChem CID 64984805) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxypropan-2-amine
PubChem CID64984805
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1,1,1-trifluoro-3-methoxypropan-2-amine
SMILESCOCC(N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-2-3(8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyFMXMGKMGLWWJQU-UHFFFAOYSA-N
XLogP0.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methoxypropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-methoxypropan-2-amine (CID 64984805) is 1,1,1-trifluoro-3-methoxypropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxypropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methoxypropan-2-amine is COCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methoxypropan-2-amine?
The InChIKey is FMXMGKMGLWWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-9-2-3(8)4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-methoxypropan-2-amine?
1,1,1-trifluoro-3-methoxypropan-2-amine has a molecular weight of 143.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxypropan-2-amine is sourced from PubChem (CID 64984805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).