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

C6H12F3NO — CID 170384161

IUPAC(2S,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-UHNVWZDZSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds3

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

(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine (PubChem CID 170384161) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine.

Molecular Properties

Compound Name(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
PubChem CID170384161
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2S,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-UHNVWZDZSA-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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Related Compounds

(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
CID 167732301
1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
CID 62548031
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568
1,1,1-trifluoro-3,4-dimethylhexan-2-amine
CID 163739387
hexane-3,4-diamine
CID 12656175
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
methyl 4-amino-3-(trifluoromethyl)hexanoate
CID 66097514
2-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropentan-3-amine
CID 83133335
4-amino-3-(trifluoromethyl)hexan-1-ol
CID 66092414

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The IUPAC name of (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine (CID 170384161) is (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine.
What is the SMILES notation for (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The canonical SMILES for (2S,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 (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
The InChIKey is GGOHJXFHFXDEGX-UHNVWZDZSA-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 (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine?
(2S,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 (2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine is sourced from PubChem (CID 170384161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).