N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide

C10H11F2NO — CID 142297290

IUPACN-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide
SMILESO=CNCC1C=CC/C=C(F)\C=C/1F
InChIInChI=1S/C10H11F2NO/c11-9-4-2-1-3-8(6-13-7-14)10(12)5-9/h1,3-5,7-8H,2,6H2,(H,13,14)/b3-1?,9-4+,10-5+
InChIKeyIXBRGSLPMRCXPJ-GPOSXRTMSA-N
MW199.20 g/mol
LogP2.02
Rot. Bonds3

About N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide

N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide (PubChem CID 142297290) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide
PubChem CID142297290
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC NameN-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide
SMILESO=CNCC1C=CC/C=C(F)\C=C/1F
InChIInChI=1S/C10H11F2NO/c11-9-4-2-1-3-8(6-13-7-14)10(12)5-9/h1,3-5,7-8H,2,6H2,(H,13,14)/b3-1?,9-4+,10-5+
InChIKeyIXBRGSLPMRCXPJ-GPOSXRTMSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
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-[(3S,4E)-1-fluoro-3-methylhepta-4,6-dien-2-yl]formamide
CID 173987931
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
CID 142217537
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide
CID 143094181
N-[2-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]formamide
CID 143501668
N-[(2E,3E)-2-ethylidene-4-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 144312855
N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442016
N-[(3Z)-3-[(E)-2-fluoroethenyl]hexa-3,5-dienyl]formamide
CID 144442150

Frequently Asked Questions

What is the IUPAC name of N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide?
The IUPAC name of N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide (CID 142297290) is N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide.
What is the SMILES notation for N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide?
The canonical SMILES for N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide is O=CNCC1C=CC/C=C(F)\C=C/1F.
What is the InChIKey of N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide?
The InChIKey is IXBRGSLPMRCXPJ-GPOSXRTMSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-9-4-2-1-3-8(6-13-7-14)10(12)5-9/h1,3-5,7-8H,2,6H2,(H,13,14)/b3-1?,9-4+,10-5+.
What are the key properties of N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide?
N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide has a molecular weight of 199.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide is sourced from PubChem (CID 142297290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).