N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

C12H12F3NO — CID 43699818

IUPACN-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-3-11(17)16-8(2)9-5-4-6-10(7-9)12(13,14)15/h3-8H,1H2,2H3,(H,16,17)
InChIKeyFSIZXDYPGRUZAF-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.07
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (PubChem CID 43699818) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
PubChem CID43699818
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-3-11(17)16-8(2)9-5-4-6-10(7-9)12(13,14)15/h3-8H,1H2,2H3,(H,16,17)
InChIKeyFSIZXDYPGRUZAF-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.07
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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Related Compounds

N-[(1S)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 124565620
N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 154867848
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (CID 43699818) is N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is FSIZXDYPGRUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-3-11(17)16-8(2)9-5-4-6-10(7-9)12(13,14)15/h3-8H,1H2,2H3,(H,16,17).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 243.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 43699818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).