(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine

C6H12F3NO — CID 170384150

IUPAC(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
SMILESCC[C@@H](N)[C@@H](OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-4(10)5(11-2)6(7,8)9/h4-5H,3,10H2,1-2H3/t4-,5-/m1/s1
InChIKeyGGOHJXFHFXDEGX-RFZPGFLSSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds3

About (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine

(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine (PubChem CID 170384150) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine.

Molecular Properties

Compound Name(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
PubChem CID170384150
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
SMILESCC[C@@H](N)[C@@H](OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-4(10)5(11-2)6(7,8)9/h4-5H,3,10H2,1-2H3/t4-,5-/m1/s1
InChIKeyGGOHJXFHFXDEGX-RFZPGFLSSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The IUPAC name of (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine (CID 170384150) is (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine.
What is the SMILES notation for (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The canonical SMILES for (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine is CC[C@@H](N)[C@@H](OC)C(F)(F)F.
What is the InChIKey of (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The InChIKey is GGOHJXFHFXDEGX-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-4(10)5(11-2)6(7,8)9/h4-5H,3,10H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
(2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine has a molecular weight of 171.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine is sourced from PubChem (CID 170384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).