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

C8H16F3NO — CID 134429364

IUPAC(2R)-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-/m1/s1
InChIKeyYZUQONSGIWHZMJ-ZCFIWIBFSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds2

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

(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 134429364) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID134429364
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(2R)-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-/m1/s1
InChIKeyYZUQONSGIWHZMJ-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 134429364) is (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-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 (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YZUQONSGIWHZMJ-ZCFIWIBFSA-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-/m1/s1.
What are the key properties of (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
(2R)-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 (2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 134429364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).