6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide

C10H14FNO — CID 130384223

IUPAC6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=C(F)C1C
InChIInChI=1S/C10H14FNO/c1-3-7-6(2)9(11)5-4-8(7)10(12)13/h4-7H,3H2,1-2H3,(H2,12,13)
InChIKeyXFXATGLMXCCVAS-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.93
Rot. Bonds2

About 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide

6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 130384223) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID130384223
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=C(F)C1C
InChIInChI=1S/C10H14FNO/c1-3-7-6(2)9(11)5-4-8(7)10(12)13/h4-7H,3H2,1-2H3,(H2,12,13)
InChIKeyXFXATGLMXCCVAS-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide (CID 130384223) is 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide is CCC1C(C(N)=O)=CC=C(F)C1C.
What is the InChIKey of 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XFXATGLMXCCVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-7-6(2)9(11)5-4-8(7)10(12)13/h4-7H,3H2,1-2H3,(H2,12,13).
What are the key properties of 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide?
6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 130384223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).