3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C11H17F3N2O — CID 119748902

IUPAC3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCC(N)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h2,8-9H,1,3-7,15H2
InChIKeyTZWRFXWENOUCST-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 119748902) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID119748902
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCC(N)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h2,8-9H,1,3-7,15H2
InChIKeyTZWRFXWENOUCST-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Aminocyclopentyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 66007497
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007515
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007713
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66007721
3-amino-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 66007981
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66008556
3-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 66009451
(3-Aminocyclopentyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66009452
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009574
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009799
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66010462

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 119748902) is 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is C=CCN(CC(F)(F)F)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is TZWRFXWENOUCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-16(7-11(12,13)14)10(17)8-3-4-9(15)6-8/h2,8-9H,1,3-7,15H2.
What are the key properties of 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119748902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).