N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide

C12H17F4NO — CID 103731894

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)C1CC2CCC1C2
InChIInChI=1S/C12H17F4NO/c1-6(9-5-7-2-3-8(9)4-7)17-11(18)12(15,16)10(13)14/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyPUYWZWPNBDFKBB-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.83
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731894) has the molecular formula C12H17F4NO and a molecular weight of 267.27 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103731894
Molecular FormulaC12H17F4NO
Molecular Weight267.27 g/mol
Exact Mass267.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)C1CC2CCC1C2
InChIInChI=1S/C12H17F4NO/c1-6(9-5-7-2-3-8(9)4-7)17-11(18)12(15,16)10(13)14/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyPUYWZWPNBDFKBB-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103731894) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide is CC(NC(=O)C(F)(F)C(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is PUYWZWPNBDFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4NO/c1-6(9-5-7-2-3-8(9)4-7)17-11(18)12(15,16)10(13)14/h6-10H,2-5H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 267.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).