2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide

C15H10F3NO3 — CID 141410053

IUPAC2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(/C=C/c1ccco1)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)14(21)19-12-6-2-1-5-11(12)13(20)8-7-10-4-3-9-22-10/h1-9H,(H,19,21)/b8-7+
InChIKeyYFSQTEDMSMVIAL-BQYQJAHWSA-N
MW309.24 g/mol
LogP3.68
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide

2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide (PubChem CID 141410053) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
PubChem CID141410053
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(/C=C/c1ccco1)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)14(21)19-12-6-2-1-5-11(12)13(20)8-7-10-4-3-9-22-10/h1-9H,(H,19,21)/b8-7+
InChIKeyYFSQTEDMSMVIAL-BQYQJAHWSA-N
XLogP3.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11623260
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide (CID 141410053) is 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide is O=C(/C=C/c1ccco1)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is YFSQTEDMSMVIAL-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10F3NO3/c16-15(17,18)14(21)19-12-6-2-1-5-11(12)13(20)8-7-10-4-3-9-22-10/h1-9H,(H,19,21)/b8-7+.
What are the key properties of 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 309.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 141410053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).