4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide

C13H27F2NOSi — CID 139050368

IUPAC4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide
SMILESCC(C)N(C(=O)CCC(F)(F)[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27F2NOSi/c1-10(2)16(11(3)4)12(17)8-9-13(14,15)18(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyBGVCSVDCWCXHOJ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.92
Rot. Bonds6

About 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide

4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide (PubChem CID 139050368) has the molecular formula C13H27F2NOSi and a molecular weight of 279.45 g/mol. Its IUPAC name is 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide.

Molecular Properties

Compound Name4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide
PubChem CID139050368
Molecular FormulaC13H27F2NOSi
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide
SMILESCC(C)N(C(=O)CCC(F)(F)[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27F2NOSi/c1-10(2)16(11(3)4)12(17)8-9-13(14,15)18(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyBGVCSVDCWCXHOJ-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide 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

3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258275
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791589
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N,N-di(propan-2-yl)propanamide
CID 14479948
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
CID 71673125
2,2,3,3-tetramethyl-N,N-di(propan-2-yl)butanamide
CID 58799213
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N,N-di(propan-2-yl)acetamide
CID 115638156
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide?
The IUPAC name of 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide (CID 139050368) is 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide.
What is the SMILES notation for 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide?
The canonical SMILES for 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide is CC(C)N(C(=O)CCC(F)(F)[Si](C)(C)C)C(C)C.
What is the InChIKey of 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide?
The InChIKey is BGVCSVDCWCXHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NOSi/c1-10(2)16(11(3)4)12(17)8-9-13(14,15)18(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide?
4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide has a molecular weight of 279.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,N-di(propan-2-yl)-4-trimethylsilylbutanamide is sourced from PubChem (CID 139050368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).