(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

C8H16F3NO — CID 134429366

IUPAC(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C[C@H](O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H16F3NO/c1-7(2,3)12(4)5-6(13)8(9,10)11/h6,13H,5H2,1-4H3/t6-/m0/s1
InChIKeyYZUQONSGIWHZMJ-LURJTMIESA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds2

About (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 134429366) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID134429366
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C[C@H](O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H16F3NO/c1-7(2,3)12(4)5-6(13)8(9,10)11/h6,13H,5H2,1-4H3/t6-/m0/s1
InChIKeyYZUQONSGIWHZMJ-LURJTMIESA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 20721301
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
(2S)-3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 71374204
N-t-butyl-bis-(2-hydroxypropyl)amine
CID 13930825
propane, 1-(N-t-butyl-2-hydroxyethyl)amino-2-hydroxy-
CID 23423720
3-(Diisopropylamino)-1,1,1-trifluoro-2-propanol
CID 2768016
1-[Di(propan-2-yl)amino]-3-fluoropropan-2-ol
CID 22975433
1,1,1-Trifluoro-3-[(2-hydroxyethyl)(methyl)amino]propan-2-ol
CID 63899383
3-[Ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63901425
3-(Diethylamino)-1,1,1-trifluoropropan-2-ol
CID 63902245
(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol
CID 87509915
3-(Dipentylamino)-1,1,1-trifluoropropan-2-ol
CID 87795847

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 134429366) is (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(C[C@H](O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YZUQONSGIWHZMJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)12(4)5-6(13)8(9,10)11/h6,13H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 134429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).