N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide

C9H12FNO — CID 123556775

IUPACN-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
SMILESC=C(F)C=CC(=CC)CNC=O
InChIInChI=1S/C9H12FNO/c1-3-9(6-11-7-12)5-4-8(2)10/h3-5,7H,2,6H2,1H3,(H,11,12)
InChIKeyMDFNSFNGWJNYRT-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds5

About N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide

N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide (PubChem CID 123556775) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide.

Molecular Properties

Compound NameN-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
PubChem CID123556775
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
SMILESC=C(F)C=CC(=CC)CNC=O
InChIInChI=1S/C9H12FNO/c1-3-9(6-11-7-12)5-4-8(2)10/h3-5,7H,2,6H2,1H3,(H,11,12)
InChIKeyMDFNSFNGWJNYRT-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dienyl]formamide
CID 89214983
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-[(2Z)-2-(fluoromethylidene)but-3-enyl]formamide
CID 124181229
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide
CID 146255078
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide
CID 154656212

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide?
The IUPAC name of N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide (CID 123556775) is N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide.
What is the SMILES notation for N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide?
The canonical SMILES for N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide is C=C(F)C=CC(=CC)CNC=O.
What is the InChIKey of N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide?
The InChIKey is MDFNSFNGWJNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-9(6-11-7-12)5-4-8(2)10/h3-5,7H,2,6H2,1H3,(H,11,12).
What are the key properties of N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide?
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide has a molecular weight of 169.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide is sourced from PubChem (CID 123556775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).