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

C11H17F4NO — CID 89314927

IUPACN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h10H,2,4-7H2,1,3H3
InChIKeyZJSDBBLOVUAZNQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.09
Rot. Bonds7

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

N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (PubChem CID 89314927) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
PubChem CID89314927
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC NameN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h10H,2,4-7H2,1,3H3
InChIKeyZJSDBBLOVUAZNQ-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.09
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'}

Analyze N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-DI-N-Butylmethacrylamide
CID 9990299
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
CID 134988730
1-Pyrrolidin-1-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 134988961
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
CID 15399693
N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
CID 15472878
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-methyl-N-propylprop-2-enamide
CID 21020708
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-N,2-dimethylprop-2-enamide
CID 21020710
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714
N,2-dimethyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)prop-2-enamide
CID 21020715

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The IUPAC name of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (CID 89314927) is N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.
What is the SMILES notation for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The canonical SMILES for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is C=C(C)C(=O)N(CCCC)CC(F)(F)C(F)F.
What is the InChIKey of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The InChIKey is ZJSDBBLOVUAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h10H,2,4-7H2,1,3H3.
What are the key properties of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide has a molecular weight of 255.25 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is sourced from PubChem (CID 89314927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).