N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 114467822

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)COCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c1-9(2)7-19-6-5-17-10(18)11(12(13,14)15)3-4-16-8-11/h16H,1,3-8H2,2H3,(H,17,18)
InChIKeyDMGSZLDVCTUVGX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 114467822) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID114467822
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=C(C)COCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c1-9(2)7-19-6-5-17-10(18)11(12(13,14)15)3-4-16-8-11/h16H,1,3-8H2,2H3,(H,17,18)
InChIKeyDMGSZLDVCTUVGX-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708246
N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708600
N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710067
N-(2-butoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710585
N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710788
N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710907
N-[2-(2-methoxyethoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710934
N-[2-(3-methylbutoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710939
N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719582
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827769
N-(2-ethoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81058628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 114467822) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=C(C)COCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is DMGSZLDVCTUVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-9(2)7-19-6-5-17-10(18)11(12(13,14)15)3-4-16-8-11/h16H,1,3-8H2,2H3,(H,17,18).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114467822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).