N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide

C10H11F4NO — CID 564262

IUPACN-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide
SMILESO=C(NC1C2C=CC1CC2)C(F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-8(10(12,13)14)9(16)15-7-5-1-2-6(7)4-3-5/h1-2,5-8H,3-4H2,(H,15,16)
InChIKeyMFWOGISAOWWZIH-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.97
Rot. Bonds2

About N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide

N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide (PubChem CID 564262) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide
PubChem CID564262
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC NameN-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide
SMILESO=C(NC1C2C=CC1CC2)C(F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-8(10(12,13)14)9(16)15-7-5-1-2-6(7)4-3-5/h1-2,5-8H,3-4H2,(H,15,16)
InChIKeyMFWOGISAOWWZIH-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide (CID 564262) is N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide is O=C(NC1C2C=CC1CC2)C(F)C(F)(F)F.
What is the InChIKey of N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide?
The InChIKey is MFWOGISAOWWZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-8(10(12,13)14)9(16)15-7-5-1-2-6(7)4-3-5/h1-2,5-8H,3-4H2,(H,15,16).
What are the key properties of N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide?
N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide has a molecular weight of 237.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[2.2.1]hept-2-enyl)-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 564262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).