N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide

C8H10F3NO — CID 166409078

IUPACN-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-6(13)12-7(5-3-4-5)8(9,10)11/h2,5,7H,1,3-4H2,(H,12,13)/t7-/m1/s1
InChIKeyUWEWJAYIFGTURK-SSDOTTSWSA-N
MW193.17 g/mol
LogP1.63
Rot. Bonds3

About N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide

N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide (PubChem CID 166409078) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide
PubChem CID166409078
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-6(13)12-7(5-3-4-5)8(9,10)11/h2,5,7H,1,3-4H2,(H,12,13)/t7-/m1/s1
InChIKeyUWEWJAYIFGTURK-SSDOTTSWSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide (CID 166409078) is N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide is C=CC(=O)N[C@H](C1CC1)C(F)(F)F.
What is the InChIKey of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide?
The InChIKey is UWEWJAYIFGTURK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-6(13)12-7(5-3-4-5)8(9,10)11/h2,5,7H,1,3-4H2,(H,12,13)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide?
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide has a molecular weight of 193.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]prop-2-enamide is sourced from PubChem (CID 166409078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).