(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine

C10H12F3NO — CID 135030057

IUPAC(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine
SMILESCO[C@H](c1ccccc1)[C@H](N)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3/t8-,9+/m1/s1
InChIKeyXZHURSYBUAGSHK-BDAKNGLRSA-N
MW219.21 g/mol
LogP2.26
Rot. Bonds3

About (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine

(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine (PubChem CID 135030057) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine
PubChem CID135030057
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine
SMILESCO[C@H](c1ccccc1)[C@H](N)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3/t8-,9+/m1/s1
InChIKeyXZHURSYBUAGSHK-BDAKNGLRSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(-)-Norpseudoephedrine
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(1S,2R)-(+)-Norephedrine
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CID 11571886

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine?
The IUPAC name of (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine (CID 135030057) is (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine.
What is the SMILES notation for (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine?
The canonical SMILES for (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine is CO[C@H](c1ccccc1)[C@H](N)C(F)(F)F.
What is the InChIKey of (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine?
The InChIKey is XZHURSYBUAGSHK-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-8(9(14)10(11,12)13)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine?
(2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine has a molecular weight of 219.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,1,1-trifluoro-3-methoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 135030057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).