2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide

C8H14F2N2O2 — CID 56992863

IUPAC2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide
SMILESCNC(=O)C(C(F)F)C(C)(C)CN=O
InChIInChI=1S/C8H14F2N2O2/c1-8(2,4-12-14)5(6(9)10)7(13)11-3/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyFUTPUEMJYOOBEO-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.41
Rot. Bonds5

About 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide

2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide (PubChem CID 56992863) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide
PubChem CID56992863
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide
SMILESCNC(=O)C(C(F)F)C(C)(C)CN=O
InChIInChI=1S/C8H14F2N2O2/c1-8(2,4-12-14)5(6(9)10)7(13)11-3/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyFUTPUEMJYOOBEO-UHFFFAOYSA-N
XLogP1.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide 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

(1Z)-3-(difluoromethyl)-N-hydroxy-2,2-dimethyl-4-(methylamino)-4-oxobutanimidoyl fluoride
CID 22769396
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
N,2,4,4-tetramethylhexanamide
CID 177059131
2-dimethylphosphanyl-N,4,4-trimethylpentanamide
CID 139494250
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid
CID 162605388
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
4,4-dimethyl-3-(methylcarbamoyl)pentanoic acid
CID 147876224
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
CID 10654979
2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide?
The IUPAC name of 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide (CID 56992863) is 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide.
What is the SMILES notation for 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide?
The canonical SMILES for 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide is CNC(=O)C(C(F)F)C(C)(C)CN=O.
What is the InChIKey of 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide?
The InChIKey is FUTPUEMJYOOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-8(2,4-12-14)5(6(9)10)7(13)11-3/h5-6H,4H2,1-3H3,(H,11,13).
What are the key properties of 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide?
2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide has a molecular weight of 208.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N,3,3-trimethyl-4-nitrosobutanamide is sourced from PubChem (CID 56992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).