5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide

C8H12F3NO — CID 177050353

IUPAC5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide
SMILESC=C(CC(C)C(F)(F)F)C(=O)NC
InChIInChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h6H,1,4H2,2-3H3,(H,12,13)
InChIKeyTWQOTMGMNOJMJB-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.88
Rot. Bonds3

About 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide

5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide (PubChem CID 177050353) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide
PubChem CID177050353
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide
SMILESC=C(CC(C)C(F)(F)F)C(=O)NC
InChIInChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h6H,1,4H2,2-3H3,(H,12,13)
InChIKeyTWQOTMGMNOJMJB-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.88
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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Related Compounds

2-(fluoromethyl)-N-methylprop-2-enamide
CID 90023989
2-methyl-4-(methylcarbamoyl)pent-4-ene-1-sulfonic acid
CID 87234352
N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide
CID 89116562
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
azane;N-methyl-2-methylidenepentanamide
CID 174850650
N,2-dimethylprop-2-enamide;ethane
CID 142291054
methyl 5,5,5-trifluoro-4-methylpentanoate
CID 154460395
N,N'-di((113C)methyl)oxamide
CID 169438737
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
methyl 2,5,5,5-tetrafluoro-4-methylpentanoate
CID 152605145

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide?
The IUPAC name of 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide (CID 177050353) is 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide?
The canonical SMILES for 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide is C=C(CC(C)C(F)(F)F)C(=O)NC.
What is the InChIKey of 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide?
The InChIKey is TWQOTMGMNOJMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h6H,1,4H2,2-3H3,(H,12,13).
What are the key properties of 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide?
5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide has a molecular weight of 195.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide is sourced from PubChem (CID 177050353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).