(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate

C14H24F3NO3 — CID 166293747

IUPAC(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCC(C)C1COCCC1OC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-10(2)11-8-20-7-5-12(11)21-13(19)4-6-18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyPSTLOVIOUBOSBI-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.47
Rot. Bonds6

About (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate

(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 166293747) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Name(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID166293747
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCC(C)C1COCCC1OC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-10(2)11-8-20-7-5-12(11)21-13(19)4-6-18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyPSTLOVIOUBOSBI-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate 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

[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate
CID 100909747
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
CID 129432314
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-(dimethylamino)-4-oxobutanoate
CID 71049629
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-(dimethylamino)-4-oxobutanoate
CID 86341950
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134
N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 84594971
2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
CID 176856944
1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 97051800
(5-methyl-2-propan-2-ylcyclohexyl) 4-(dimethylamino)-4-hydroxybutanoate
CID 174720403

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate (CID 166293747) is (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate is CC(C)C1COCCC1OC(=O)CCN(C)CC(F)(F)F.
What is the InChIKey of (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is PSTLOVIOUBOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-10(2)11-8-20-7-5-12(11)21-13(19)4-6-18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3.
What are the key properties of (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 311.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 166293747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).