N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide

C10H6F5NO — CID 151221645

IUPACN-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
SMILESC=CC(=O)N(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H6F5NO/c1-3-4(17)16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3H,1H2,2H3
InChIKeyNMKKGMQUDUBZGH-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.53
Rot. Bonds2

About N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide

N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide (PubChem CID 151221645) has the molecular formula C10H6F5NO and a molecular weight of 251.15 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
PubChem CID151221645
Molecular FormulaC10H6F5NO
Molecular Weight251.15 g/mol
Exact Mass251.04
IUPAC NameN-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
SMILESC=CC(=O)N(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H6F5NO/c1-3-4(17)16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3H,1H2,2H3
InChIKeyNMKKGMQUDUBZGH-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide (CID 151221645) is N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide is C=CC(=O)N(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
The InChIKey is NMKKGMQUDUBZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5NO/c1-3-4(17)16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3H,1H2,2H3.
What are the key properties of N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide?
N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide has a molecular weight of 251.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide is sourced from PubChem (CID 151221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).