(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine

C6H12F3NO — CID 28571144

IUPAC(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCOC[C@H](C)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(3-11-2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3/t5-/m0/s1
InChIKeySUBHWUOLNDFWJV-YFKPBYRVSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds4

About (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine

(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 28571144) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID28571144
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCOC[C@H](C)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(3-11-2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3/t5-/m0/s1
InChIKeySUBHWUOLNDFWJV-YFKPBYRVSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 116501816
1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107859563
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559356
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
4-chloro-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 83186900
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 28608773
(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 28571144) is (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine is COC[C@H](C)NCC(F)(F)F.
What is the InChIKey of (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is SUBHWUOLNDFWJV-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(3-11-2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine?
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 28571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).