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

C4H8F3NO — CID 43752849

IUPAC3,3,3-trifluoro-2-methoxypropan-1-amine
SMILESCOC(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyFNSRYZFYBKMUCL-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.52
Rot. Bonds2

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

3,3,3-trifluoro-2-methoxypropan-1-amine (PubChem CID 43752849) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxypropan-1-amine
PubChem CID43752849
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name3,3,3-trifluoro-2-methoxypropan-1-amine
SMILESCOC(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyFNSRYZFYBKMUCL-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 3,3,3-trifluoro-2-methoxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methoxypropan-1-amine (CID 43752849) is 3,3,3-trifluoro-2-methoxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methoxypropan-1-amine is COC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxypropan-1-amine?
The InChIKey is FNSRYZFYBKMUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methoxypropan-1-amine?
3,3,3-trifluoro-2-methoxypropan-1-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 3,3,3-trifluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 43752849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).