2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide

C10H9F10NO — CID 139789970

IUPAC2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(F)(F)CC(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C10H9F10NO/c1-5(2)6(22)21(9(17,18)3-7(11,12)13)10(19,20)4-8(14,15)16/h1,3-4H2,2H3
InChIKeyYMRFHCRRGARMDZ-UHFFFAOYSA-N
MW349.17 g/mol
LogP4.48
Rot. Bonds5

About 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide

2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide (PubChem CID 139789970) has the molecular formula C10H9F10NO and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
PubChem CID139789970
Molecular FormulaC10H9F10NO
Molecular Weight349.17 g/mol
Exact Mass349.05
IUPAC Name2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(F)(F)CC(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C10H9F10NO/c1-5(2)6(22)21(9(17,18)3-7(11,12)13)10(19,20)4-8(14,15)16/h1,3-4H2,2H3
InChIKeyYMRFHCRRGARMDZ-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide (CID 139789970) is 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide is C=C(C)C(=O)N(C(F)(F)CC(F)(F)F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide?
The InChIKey is YMRFHCRRGARMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10NO/c1-5(2)6(22)21(9(17,18)3-7(11,12)13)10(19,20)4-8(14,15)16/h1,3-4H2,2H3.
What are the key properties of 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide?
2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide has a molecular weight of 349.17 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide is sourced from PubChem (CID 139789970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).