(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

C6H12F3NO — CID 146248092

IUPAC(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCNC[C@](C)(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-10-4-5(2,11)6(7,8)9/h10-11H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyCYTHQRIAJXCAQF-YFKPBYRVSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds3

About (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 146248092) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID146248092
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCNC[C@](C)(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-10-4-5(2,11)6(7,8)9/h10-11H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyCYTHQRIAJXCAQF-YFKPBYRVSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
4-(ethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80559493
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
CID 163265601
N-ethyl-2,2-difluoro-2-iodoethanamine
CID 129161141
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 79006473
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 71757351

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 146248092) is (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is CCNC[C@](C)(O)C(F)(F)F.
What is the InChIKey of (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is CYTHQRIAJXCAQF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-10-4-5(2,11)6(7,8)9/h10-11H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 146248092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).