4-fluorocyclohepta-2,4,6-triene-1-carboxamide

C8H8FNO — CID 167262900

IUPAC4-fluorocyclohepta-2,4,6-triene-1-carboxamide
SMILESNC(=O)C1C=CC=C(F)C=C1
InChIInChI=1S/C8H8FNO/c9-7-3-1-2-6(4-5-7)8(10)11/h1-6H,(H2,10,11)
InChIKeyWNOHKNRXSSEEBF-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.07
Rot. Bonds1

About 4-fluorocyclohepta-2,4,6-triene-1-carboxamide

4-fluorocyclohepta-2,4,6-triene-1-carboxamide (PubChem CID 167262900) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 4-fluorocyclohepta-2,4,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-fluorocyclohepta-2,4,6-triene-1-carboxamide
PubChem CID167262900
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name4-fluorocyclohepta-2,4,6-triene-1-carboxamide
SMILESNC(=O)C1C=CC=C(F)C=C1
InChIInChI=1S/C8H8FNO/c9-7-3-1-2-6(4-5-7)8(10)11/h1-6H,(H2,10,11)
InChIKeyWNOHKNRXSSEEBF-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(4Z,6E)-6-fluoronona-4,6,8-trienamide
CID 88586588
(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
CID 89270020
4-Fluoro-3-methylcyclohepta-2,4,5-triene-1-carboxamide
CID 139540072
(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide
CID 155426407
N-cyano-4-fluorocyclohepta-2,4,6-triene-1-carboxamide
CID 156359413
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienamide
CID 168164928
3-Fluorocyclopenta-2,4-diene-1-carboxamide
CID 170271404
5-Fluoropent-3-enamide
CID 173314135
Cyclohepta-2,4,6-triene-1-carboxamide
CID 12673770
Cyclopenta-2,4-diene-1-carboxamide
CID 12146770
(3E,5E)-2-methylocta-3,5,7-trienamide
CID 17917293

Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohepta-2,4,6-triene-1-carboxamide?
The IUPAC name of 4-fluorocyclohepta-2,4,6-triene-1-carboxamide (CID 167262900) is 4-fluorocyclohepta-2,4,6-triene-1-carboxamide.
What is the SMILES notation for 4-fluorocyclohepta-2,4,6-triene-1-carboxamide?
The canonical SMILES for 4-fluorocyclohepta-2,4,6-triene-1-carboxamide is NC(=O)C1C=CC=C(F)C=C1.
What is the InChIKey of 4-fluorocyclohepta-2,4,6-triene-1-carboxamide?
The InChIKey is WNOHKNRXSSEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-7-3-1-2-6(4-5-7)8(10)11/h1-6H,(H2,10,11).
What are the key properties of 4-fluorocyclohepta-2,4,6-triene-1-carboxamide?
4-fluorocyclohepta-2,4,6-triene-1-carboxamide has a molecular weight of 153.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohepta-2,4,6-triene-1-carboxamide is sourced from PubChem (CID 167262900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).