(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide

C10H6F2N2O — CID 122366406

IUPAC(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C10H6F2N2O/c11-8-1-2-9(12)6(4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3+
InChIKeyMFXJKMGNNRAHAL-XVNBXDOJSA-N
MW208.17 g/mol
LogP1.36
Rot. Bonds2

About (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide

(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide (PubChem CID 122366406) has the molecular formula C10H6F2N2O and a molecular weight of 208.17 g/mol. Its IUPAC name is (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
PubChem CID122366406
Molecular FormulaC10H6F2N2O
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C10H6F2N2O/c11-8-1-2-9(12)6(4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3+
InChIKeyMFXJKMGNNRAHAL-XVNBXDOJSA-N
XLogP1.36
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enoic acid
CID 43312521
2-methoxyethyl (Z)-2-cyano-3-(2,5-difluorophenyl)prop-2-enoate
CID 52643206
(Z)-2-cyano-3-(4-fluoro-2-nitrophenyl)prop-2-enamide
CID 70608073
2-cyano-3-(4-fluoro-2-nitrophenyl)prop-2-enamide
CID 54446537
(Z)-2-cyano-3-(2,5-difluorophenyl)-N-prop-2-enylprop-2-enamide
CID 51117477
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 5383858
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)prop-2-enamide
CID 71997115
(Z)-2-cyano-3-(2,5-difluorophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 132760367
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 7948177
3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759
(Z)-2-cyano-3-(4-fluoro-2-methylphenyl)prop-2-enoic acid
CID 62124702

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide (CID 122366406) is (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide is N#C/C(=C\c1cc(F)ccc1F)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide?
The InChIKey is MFXJKMGNNRAHAL-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H6F2N2O/c11-8-1-2-9(12)6(4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3+.
What are the key properties of (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide?
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide has a molecular weight of 208.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 122366406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).