2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol

C7H14F3NO — CID 81414497

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(C)(CO)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,5-12)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyXEZQRJZYOKLLJT-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.16
Rot. Bonds4

About 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol

2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 81414497) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID81414497
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(C)(CO)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,5-12)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyXEZQRJZYOKLLJT-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-(methylamino)-1-propanol
CID 14421786
3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
(3-(Difluoromethyl)azetidin-3-yl)methanol hydrochloride
CID 162342605
3-(2,2-Difluoroethylamino)butan-1-ol
CID 83176464
3-(Ethylamino)-4,4,4-trifluorobutan-1-ol
CID 83816247
4,4,4-Trifluoro-3-(propan-2-ylamino)butan-1-ol
CID 83817419
3-(Difluoromethylamino)propan-1-ol
CID 87321894
3-(Trifluoromethylamino)propan-1-ol
CID 87322555
2,2-Difluoro-3-(propan-2-ylamino)propan-1-ol
CID 104860621
3-(Butylamino)-2,2-difluoropropan-1-ol
CID 106173032
2,2,2-Trifluoro-1-(propylamino)ethanol
CID 123673955

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol (CID 81414497) is 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol is CC(C)(CO)CNCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is XEZQRJZYOKLLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(2,5-12)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol?
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 81414497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).