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

C8H16F3NO — CID 62487591

IUPAC2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)C(C)(CO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(3,5-13)12-4-8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyYIQDZACPXKQZGB-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds4

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

2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 62487591) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID62487591
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)C(C)(CO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(3,5-13)12-4-8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyYIQDZACPXKQZGB-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 62487591) is 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is CC(C)C(C)(CO)NCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is YIQDZACPXKQZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)7(3,5-13)12-4-8(9,10)11/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 62487591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).