N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide

C9H12FNO — CID 121322277

IUPACN-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h4,6H,2-3,5H2,1H3,(H,11,12)
InChIKeyRMTDUSGSURUUCP-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.70
Rot. Bonds2

About N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide

N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 121322277) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID121322277
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h4,6H,2-3,5H2,1H3,(H,11,12)
InChIKeyRMTDUSGSURUUCP-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide (CID 121322277) is N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide is CCNC(=O)C1=C(F)C=CCC1.
What is the InChIKey of N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is RMTDUSGSURUUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h4,6H,2-3,5H2,1H3,(H,11,12).
What are the key properties of N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide?
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 169.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 121322277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).