2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H15F3N2O2 — CID 115713816

IUPAC2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(14-7-2-3-16-4-7)8(15)13-5-9(10,11)12/h6-7,14H,2-5H2,1H3,(H,13,15)
InChIKeyCCJWTJGCMRFNHO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds4

About 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115713816) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115713816
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(14-7-2-3-16-4-7)8(15)13-5-9(10,11)12/h6-7,14H,2-5H2,1H3,(H,13,15)
InChIKeyCCJWTJGCMRFNHO-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]ethyl 2,2,2-trifluoroacetate
CID 89421100
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine
CID 142596604
N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 156761445
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
CID 164605014
2-[[2-[3-(Trifluoromethoxy)pyrrolidin-1-yl]acetyl]amino]propanamide
CID 176272224
2,2,2-trifluoro-N-[(3S,4S)-4-[(2,2,2-trifluoroacetyl)amino]oxolan-3-yl]acetamide
CID 21796811
Ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate
CID 23278174
1-Morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089166
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089172
N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43116680
3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 43594043

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115713816) is 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCOC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CCJWTJGCMRFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(14-7-2-3-16-4-7)8(15)13-5-9(10,11)12/h6-7,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115713816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).