3-[2-(difluoromethoxy)phenyl]prop-2-enamide

C10H9F2NO2 — CID 169482051

IUPAC3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccccc1OC(F)F
InChIInChI=1S/C10H9F2NO2/c11-10(12)15-8-4-2-1-3-7(8)5-6-9(13)14/h1-6,10H,(H2,13,14)
InChIKeyMCKIBDZIWSWTRQ-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.79
Rot. Bonds4

About 3-[2-(difluoromethoxy)phenyl]prop-2-enamide

3-[2-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 169482051) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID169482051
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccccc1OC(F)F
InChIInChI=1S/C10H9F2NO2/c11-10(12)15-8-4-2-1-3-7(8)5-6-9(13)14/h1-6,10H,(H2,13,14)
InChIKeyMCKIBDZIWSWTRQ-UHFFFAOYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(E)-N-tert-butyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 47137697
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-1,4-diazepane-1-carboxamide
CID 72684452
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 75533554
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857424
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531211
(E)-3-[2-(difluoromethoxy)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one
CID 19565418
(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
CID 170876774
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]prop-2-enamide (CID 169482051) is 3-[2-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]prop-2-enamide is NC(=O)C=Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is MCKIBDZIWSWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)15-8-4-2-1-3-7(8)5-6-9(13)14/h1-6,10H,(H2,13,14).
What are the key properties of 3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
3-[2-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 213.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 169482051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).