N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide

C9H7F2NO — CID 102120376

IUPACN-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide
SMILESO=CN/C=C/c1c(F)cccc1F
InChIInChI=1S/C9H7F2NO/c10-8-2-1-3-9(11)7(8)4-5-12-6-13/h1-6H,(H,12,13)/b5-4+
InChIKeyHXRNHORANIXABT-SNAWJCMRSA-N
MW183.16 g/mol
LogP1.68
Rot. Bonds3

About N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide

N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide (PubChem CID 102120376) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide
PubChem CID102120376
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide
SMILESO=CN/C=C/c1c(F)cccc1F
InChIInChI=1S/C9H7F2NO/c10-8-2-1-3-9(11)7(8)4-5-12-6-13/h1-6H,(H,12,13)/b5-4+
InChIKeyHXRNHORANIXABT-SNAWJCMRSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2,6-difluorophenyl)prop-2-enal
CID 86308027
2-(2-bromoethenyl)-1,3-difluorobenzene
CID 123354850
N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
CID 5386800
[3-acetyloxy-2-[(E)-2-formamidoethenyl]phenyl] acetate
CID 19888919
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
(E)-3-(2,6-difluorophenyl)prop-2-enoyl chloride
CID 11424232
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
CID 51349716
2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde
CID 170481762
N-[2-(7-hydroxy-1H-indol-3-yl)ethenyl]formamide
CID 57234999
3-(3-fluoro-2-formylphenyl)prop-2-enenitrile
CID 169483381
3-(2-fluoro-6-formylphenyl)prop-2-enenitrile
CID 169483366

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide (CID 102120376) is N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide is O=CN/C=C/c1c(F)cccc1F.
What is the InChIKey of N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide?
The InChIKey is HXRNHORANIXABT-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-8-2-1-3-9(11)7(8)4-5-12-6-13/h1-6H,(H,12,13)/b5-4+.
What are the key properties of N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide?
N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide has a molecular weight of 183.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide is sourced from PubChem (CID 102120376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).