6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide

C10H14FNO — CID 174412604

IUPAC6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1C=CC=CC1(F)C(=O)NC
InChIInChI=1S/C10H14FNO/c1-3-8-6-4-5-7-10(8,11)9(13)12-2/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyGXAWZAVOZYADOG-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.59
Rot. Bonds2

About 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide

6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 174412604) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID174412604
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1C=CC=CC1(F)C(=O)NC
InChIInChI=1S/C10H14FNO/c1-3-8-6-4-5-7-10(8,11)9(13)12-2/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyGXAWZAVOZYADOG-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide (CID 174412604) is 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide is CCC1C=CC=CC1(F)C(=O)NC.
What is the InChIKey of 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is GXAWZAVOZYADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-8-6-4-5-7-10(8,11)9(13)12-2/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide?
6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluoro-N-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 174412604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).