(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine

C4H8F3NO — CID 51886548

IUPAC(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
SMILESCO[C@@H](CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1
InChIKeyFNSRYZFYBKMUCL-VKHMYHEASA-N
MW143.11 g/mol
LogP0.52
Rot. Bonds2

About (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine

(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine (PubChem CID 51886548) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
PubChem CID51886548
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
SMILESCO[C@@H](CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1
InChIKeyFNSRYZFYBKMUCL-VKHMYHEASA-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 (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine (CID 51886548) is (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine is CO[C@@H](CN)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine?
The InChIKey is FNSRYZFYBKMUCL-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine?
(2S)-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 (2S)-3,3,3-trifluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 51886548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).