(2S)-1-ethoxy-3,3-difluorobutan-2-amine

C6H13F2NO — CID 170383951

IUPAC(2S)-1-ethoxy-3,3-difluorobutan-2-amine
SMILESCCOC[C@H](N)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m0/s1
InChIKeyMXFZDQHFNHOXCQ-YFKPBYRVSA-N
MW153.17 g/mol
LogP1.01
Rot. Bonds4

About (2S)-1-ethoxy-3,3-difluorobutan-2-amine

(2S)-1-ethoxy-3,3-difluorobutan-2-amine (PubChem CID 170383951) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is (2S)-1-ethoxy-3,3-difluorobutan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethoxy-3,3-difluorobutan-2-amine
PubChem CID170383951
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name(2S)-1-ethoxy-3,3-difluorobutan-2-amine
SMILESCCOC[C@H](N)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m0/s1
InChIKeyMXFZDQHFNHOXCQ-YFKPBYRVSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
1-ethoxy-3,3-dimethylpentan-2-amine
CID 105008105
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
2,2-difluoroheptan-3-amine
CID 130605107
2-amino-3,3-difluorobutan-1-ol;ethane
CID 170584930
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1-ethoxypentan-2-amine
CID 62042543
3-(1-ethoxypropan-2-yloxy)-2,2-difluoropropan-1-amine
CID 165466401
2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 105007867
1,3-dibromo-4-ethoxy-1,1-difluorobutane
CID 119098562
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3,3-difluorobutan-2-amine?
The IUPAC name of (2S)-1-ethoxy-3,3-difluorobutan-2-amine (CID 170383951) is (2S)-1-ethoxy-3,3-difluorobutan-2-amine.
What is the SMILES notation for (2S)-1-ethoxy-3,3-difluorobutan-2-amine?
The canonical SMILES for (2S)-1-ethoxy-3,3-difluorobutan-2-amine is CCOC[C@H](N)C(C)(F)F.
What is the InChIKey of (2S)-1-ethoxy-3,3-difluorobutan-2-amine?
The InChIKey is MXFZDQHFNHOXCQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1-ethoxy-3,3-difluorobutan-2-amine?
(2S)-1-ethoxy-3,3-difluorobutan-2-amine has a molecular weight of 153.17 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-3,3-difluorobutan-2-amine is sourced from PubChem (CID 170383951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).