1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C7H11F3N2O — CID 144653183

IUPAC1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-6(2-3-6)5(13)12-4-7(8,9)10/h11H,2-4H2,1H3,(H,12,13)
InChIKeyCWYXFQVTYUHBOP-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.42
Rot. Bonds3

About 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 144653183) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID144653183
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCNC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-6(2-3-6)5(13)12-4-7(8,9)10/h11H,2-4H2,1H3,(H,12,13)
InChIKeyCWYXFQVTYUHBOP-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 144653183) is 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CNC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is CWYXFQVTYUHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-6(2-3-6)5(13)12-4-7(8,9)10/h11H,2-4H2,1H3,(H,12,13).
What are the key properties of 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 144653183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).