7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide

C9H10FNO — CID 142840533

IUPAC7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCNC(=O)C1=CC=CCC=C1F
InChIInChI=1S/C9H10FNO/c1-11-9(12)7-5-3-2-4-6-8(7)10/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyWCVOZCMKSWTNTE-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.47
Rot. Bonds1

About 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide

7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 142840533) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide
PubChem CID142840533
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCNC(=O)C1=CC=CCC=C1F
InChIInChI=1S/C9H10FNO/c1-11-9(12)7-5-3-2-4-6-8(7)10/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyWCVOZCMKSWTNTE-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide (CID 142840533) is 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide is CNC(=O)C1=CC=CCC=C1F.
What is the InChIKey of 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is WCVOZCMKSWTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-11-9(12)7-5-3-2-4-6-8(7)10/h2-3,5-6H,4H2,1H3,(H,11,12).
What are the key properties of 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide?
7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 167.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methylcyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 142840533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).