6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide

C10H11FN2O — CID 154927936

IUPAC6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESCC(C#N)C1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C10H11FN2O/c1-7(6-12)10(11)5-3-2-4-8(10)9(13)14/h2-5,7-8H,1H3,(H2,13,14)
InChIKeyVOPGHCRPXNTMSC-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.08
Rot. Bonds2

About 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide

6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 154927936) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID154927936
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESCC(C#N)C1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C10H11FN2O/c1-7(6-12)10(11)5-3-2-4-8(10)9(13)14/h2-5,7-8H,1H3,(H2,13,14)
InChIKeyVOPGHCRPXNTMSC-UHFFFAOYSA-N
XLogP1.08
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide (CID 154927936) is 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide is CC(C#N)C1(F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is VOPGHCRPXNTMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7(6-12)10(11)5-3-2-4-8(10)9(13)14/h2-5,7-8H,1H3,(H2,13,14).
What are the key properties of 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 194.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 154927936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).