N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide

C6H10F3NO3 — CID 3390456

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2-11,3-12)10-4(13)6(7,8)9/h11-12H,2-3H2,1H3,(H,10,13)
InChIKeyUTNMIALQEHSUDU-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.59
Rot. Bonds3

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 3390456) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID3390456
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2-11,3-12)10-4(13)6(7,8)9/h11-12H,2-3H2,1H3,(H,10,13)
InChIKeyUTNMIALQEHSUDU-UHFFFAOYSA-N
XLogP-0.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide (CID 3390456) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide is CC(CO)(CO)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UTNMIALQEHSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-5(2-11,3-12)10-4(13)6(7,8)9/h11-12H,2-3H2,1H3,(H,10,13).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 201.14 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3390456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).