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

C10H15F4NO — CID 89314896

IUPAC2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCC)CC(F)(F)C(F)F
InChIInChI=1S/C10H15F4NO/c1-4-5-15(8(16)7(2)3)6-10(13,14)9(11)12/h9H,2,4-6H2,1,3H3
InChIKeyNCBZFIJTARKLOW-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.70
Rot. Bonds6

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

2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (PubChem CID 89314896) has the molecular formula C10H15F4NO and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
PubChem CID89314896
Molecular FormulaC10H15F4NO
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCC)CC(F)(F)C(F)F
InChIInChI=1S/C10H15F4NO/c1-4-5-15(8(16)7(2)3)6-10(13,14)9(11)12/h9H,2,4-6H2,1,3H3
InChIKeyNCBZFIJTARKLOW-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.70
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 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (CID 89314896) is 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is C=C(C)C(=O)N(CCC)CC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The InChIKey is NCBZFIJTARKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO/c1-4-5-15(8(16)7(2)3)6-10(13,14)9(11)12/h9H,2,4-6H2,1,3H3.
What are the key properties of 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide has a molecular weight of 241.23 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is sourced from PubChem (CID 89314896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).