3-ethoxy-1,1,1-trifluoropropan-2-amine

C5H10F3NO — CID 64981755

IUPAC3-ethoxy-1,1,1-trifluoropropan-2-amine
SMILESCCOCC(N)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-3-4(9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyNPPWGLOLKPCGMA-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds3

About 3-ethoxy-1,1,1-trifluoropropan-2-amine

3-ethoxy-1,1,1-trifluoropropan-2-amine (PubChem CID 64981755) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-ethoxy-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1,1,1-trifluoropropan-2-amine
PubChem CID64981755
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-ethoxy-1,1,1-trifluoropropan-2-amine
SMILESCCOCC(N)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-10-3-4(9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyNPPWGLOLKPCGMA-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-ethoxy-3,3-difluorobutan-2-amine
CID 170383951
1-ethoxy-3,3-dimethylpentan-2-amine
CID 105008105
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
3-ethoxy-1,1,1-trifluoro-2-propoxypropane
CID 88691879
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
(2-amino-3,3,3-trifluoropropyl) carbamate
CID 175008737
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1-ethoxypentan-2-amine
CID 62042543
1,1,1-trifluorohexan-2-amine
CID 50998628
3-(1-ethoxypropan-2-yloxy)-2,2-difluoropropan-1-amine
CID 165466401

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-ethoxy-1,1,1-trifluoropropan-2-amine (CID 64981755) is 3-ethoxy-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-ethoxy-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-ethoxy-1,1,1-trifluoropropan-2-amine is CCOCC(N)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1-trifluoropropan-2-amine?
The InChIKey is NPPWGLOLKPCGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-10-3-4(9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 3-ethoxy-1,1,1-trifluoropropan-2-amine?
3-ethoxy-1,1,1-trifluoropropan-2-amine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 64981755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).