3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide

C10H13F6NO3 — CID 106102924

IUPAC3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
SMILESCC1OCCC1(O)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c1-5-8(19,2-3-20-5)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6,19H,2-4H2,1H3,(H,17,18)
InChIKeyKGDXZKVVFZRINZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.38
Rot. Bonds3

About 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide (PubChem CID 106102924) has the molecular formula C10H13F6NO3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
PubChem CID106102924
Molecular FormulaC10H13F6NO3
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
SMILESCC1OCCC1(O)CNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c1-5-8(19,2-3-20-5)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6,19H,2-4H2,1H3,(H,17,18)
InChIKeyKGDXZKVVFZRINZ-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310217
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848818
2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849023
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
2,2,3,3-tetrafluoro-N-[(2-methyloxolan-3-yl)methyl]propanamide
CID 105746196
2,2,3,3,3-pentafluoro-N-[(2-methyloxolan-3-yl)methyl]propanamide
CID 105746222
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100937
2-Methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
CID 106100948
2-Methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
CID 106101017
2-Methyl-3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
CID 106101019
3-[(2,2-Difluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106101073

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide (CID 106102924) is 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide is CC1OCCC1(O)CNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is KGDXZKVVFZRINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO3/c1-5-8(19,2-3-20-5)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6,19H,2-4H2,1H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 309.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 106102924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).