1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide

C7H9FN2O — CID 68911394

IUPAC1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(N)C=C(F)C=CC1
InChIInChI=1S/C7H9FN2O/c8-5-2-1-3-7(10,4-5)6(9)11/h1-2,4H,3,10H2,(H2,9,11)
InChIKeyOTWDHVBTDRNJIW-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.02
Rot. Bonds1

About 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide

1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 68911394) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID68911394
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(N)C=C(F)C=CC1
InChIInChI=1S/C7H9FN2O/c8-5-2-1-3-7(10,4-5)6(9)11/h1-2,4H,3,10H2,(H2,9,11)
InChIKeyOTWDHVBTDRNJIW-UHFFFAOYSA-N
XLogP-0.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide (CID 68911394) is 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(N)C=C(F)C=CC1.
What is the InChIKey of 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is OTWDHVBTDRNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-5-2-1-3-7(10,4-5)6(9)11/h1-2,4H,3,10H2,(H2,9,11).
What are the key properties of 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide?
1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 156.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 68911394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).