N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide

C9H14F4N2O — CID 106291572

IUPACN-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide
SMILESC=CCNC(=O)C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c1-3-4-14-7(16)6(2)15-5-9(12,13)8(10)11/h3,6,8,15H,1,4-5H2,2H3,(H,14,16)
InChIKeyXGSNCLCESVZRFL-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.17
Rot. Bonds7

About N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide

N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide (PubChem CID 106291572) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide
PubChem CID106291572
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC NameN-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide
SMILESC=CCNC(=O)C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c1-3-4-14-7(16)6(2)15-5-9(12,13)8(10)11/h3,6,8,15H,1,4-5H2,2H3,(H,14,16)
InChIKeyXGSNCLCESVZRFL-UHFFFAOYSA-N
XLogP1.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide (CID 106291572) is N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide is C=CCNC(=O)C(C)NCC(F)(F)C(F)F.
What is the InChIKey of N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The InChIKey is XGSNCLCESVZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-3-4-14-7(16)6(2)15-5-9(12,13)8(10)11/h3,6,8,15H,1,4-5H2,2H3,(H,14,16).
What are the key properties of N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide has a molecular weight of 242.22 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropylamino)propanamide is sourced from PubChem (CID 106291572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).