N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide

C14H24F3NO — CID 129033365

IUPACN-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)NCC(C)(CCC)CCCC)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-7-9-13(4,8-6-2)10-18-12(19)11(3)14(15,16)17/h3,5-10H2,1-2,4H3,(H,18,19)
InChIKeyWHLZXELREXCSGS-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.22
Rot. Bonds8

About N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide

N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide (PubChem CID 129033365) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide
PubChem CID129033365
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)NCC(C)(CCC)CCCC)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-7-9-13(4,8-6-2)10-18-12(19)11(3)14(15,16)17/h3,5-10H2,1-2,4H3,(H,18,19)
InChIKeyWHLZXELREXCSGS-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide (CID 129033365) is N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide is C=C(C(=O)NCC(C)(CCC)CCCC)C(F)(F)F.
What is the InChIKey of N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is WHLZXELREXCSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-5-7-9-13(4,8-6-2)10-18-12(19)11(3)14(15,16)17/h3,5-10H2,1-2,4H3,(H,18,19).
What are the key properties of N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide?
N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 279.35 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-propylhexyl)-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 129033365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).