3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H16F4N2O — CID 106291510

IUPAC3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O/c12-10(13)11(14,15)4-17-9(18)7-5-1-2-6(3-5)8(7)16/h5-8,10H,1-4,16H2,(H,17,18)
InChIKeyRQCOJWDFQKHXSL-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.38
Rot. Bonds4

About 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106291510) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106291510
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O/c12-10(13)11(14,15)4-17-9(18)7-5-1-2-6(3-5)8(7)16/h5-8,10H,1-4,16H2,(H,17,18)
InChIKeyRQCOJWDFQKHXSL-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 106291510) is 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RQCOJWDFQKHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O/c12-10(13)11(14,15)4-17-9(18)7-5-1-2-6(3-5)8(7)16/h5-8,10H,1-4,16H2,(H,17,18).
What are the key properties of 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 268.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106291510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).