2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

C7H14F3NO — CID 61045282

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2,5-12)11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyLYZKUNMAFQNKPM-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds4

About 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 61045282) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID61045282
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2,5-12)11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyLYZKUNMAFQNKPM-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
1,1-Difluoro-3-methyl-3-(methylamino)butan-2-ol
CID 130589679
2-Methyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 43499804
2-[(1,1-Difluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 53764457
2-[(1-Fluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 54211255
3-(Tert-butylamino)-1,1,1-trifluoropropan-2-ol
CID 57957354
2-(2,2-Difluoroethylamino)-2-methylpropan-1-ol
CID 60922930
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
3,3,3-Trifluoro-2-(propan-2-ylamino)propan-1-ol
CID 83816246
2-[[1-(Trifluoromethyl)cyclopropyl]amino]ethanol
CID 106212392
3,3-Difluoro-2-[(2-hydroxyethylamino)methyl]butan-1-ol
CID 123504706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 61045282) is 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is CCC(C)(CO)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is LYZKUNMAFQNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-6(2,5-12)11-4-7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 61045282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).