ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide

C10H16FNO — CID 178170821

IUPACethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC.CNC(=O)C1=C(F)CCC=C1
InChIInChI=1S/C8H10FNO.C2H6/c1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2,4H,3,5H2,1H3,(H,10,11);1-2H3
InChIKeyFOWDWIBAOGRGPW-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.33
Rot. Bonds1

About ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide

ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 178170821) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Nameethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID178170821
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Nameethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC.CNC(=O)C1=C(F)CCC=C1
InChIInChI=1S/C8H10FNO.C2H6/c1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2,4H,3,5H2,1H3,(H,10,11);1-2H3
InChIKeyFOWDWIBAOGRGPW-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide (CID 178170821) is ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide is CC.CNC(=O)C1=C(F)CCC=C1.
What is the InChIKey of ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is FOWDWIBAOGRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO.C2H6/c1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2,4H,3,5H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide?
ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 178170821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).