N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide

C7H9F4NO — CID 89314924

IUPACN-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO/c1-3-5(13)12(2)4-7(10,11)6(8)9/h3,6H,1,4H2,2H3
InChIKeyOBQPMGILRHCJIS-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide

N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (PubChem CID 89314924) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
PubChem CID89314924
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC NameN-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO/c1-3-5(13)12(2)4-7(10,11)6(8)9/h3,6H,1,4H2,2H3
InChIKeyOBQPMGILRHCJIS-UHFFFAOYSA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (CID 89314924) is N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is C=CC(=O)N(C)CC(F)(F)C(F)F.
What is the InChIKey of N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The InChIKey is OBQPMGILRHCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c1-3-5(13)12(2)4-7(10,11)6(8)9/h3,6H,1,4H2,2H3.
What are the key properties of N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide has a molecular weight of 199.15 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is sourced from PubChem (CID 89314924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).