5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide

C11H16F2N2O — CID 71040291

IUPAC5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide
SMILESNCCCCC(=O)NC1C=C(F)C(F)=CC1
InChIInChI=1S/C11H16F2N2O/c12-9-5-4-8(7-10(9)13)15-11(16)3-1-2-6-14/h5,7-8H,1-4,6,14H2,(H,15,16)
InChIKeyVKUSZNJQMZMBGS-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide

5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide (PubChem CID 71040291) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide
PubChem CID71040291
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide
SMILESNCCCCC(=O)NC1C=C(F)C(F)=CC1
InChIInChI=1S/C11H16F2N2O/c12-9-5-4-8(7-10(9)13)15-11(16)3-1-2-6-14/h5,7-8H,1-4,6,14H2,(H,15,16)
InChIKeyVKUSZNJQMZMBGS-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide?
The IUPAC name of 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide (CID 71040291) is 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide?
The canonical SMILES for 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide is NCCCCC(=O)NC1C=C(F)C(F)=CC1.
What is the InChIKey of 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide?
The InChIKey is VKUSZNJQMZMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c12-9-5-4-8(7-10(9)13)15-11(16)3-1-2-6-14/h5,7-8H,1-4,6,14H2,(H,15,16).
What are the key properties of 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide?
5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide has a molecular weight of 230.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide is sourced from PubChem (CID 71040291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).