2-fluoro-N,N,3-trimethylbutanamide

C7H14FNO — CID 130964649

IUPAC2-fluoro-N,N,3-trimethylbutanamide
SMILESCC(C)C(F)C(=O)N(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3
InChIKeySSUACVWIWBGVNZ-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.07
Rot. Bonds2

About 2-fluoro-N,N,3-trimethylbutanamide

2-fluoro-N,N,3-trimethylbutanamide (PubChem CID 130964649) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-fluoro-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N,N,3-trimethylbutanamide
PubChem CID130964649
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-fluoro-N,N,3-trimethylbutanamide
SMILESCC(C)C(F)C(=O)N(C)C
InChIInChI=1S/C7H14FNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3
InChIKeySSUACVWIWBGVNZ-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N,N,3-trimethylbutanamide 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

2-fluoro-N,N-dimethylbutanamide
CID 14592376
2-fluoro-N,N-dimethylpentanamide
CID 135391133
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
CID 74892775
1-amino-3-fluoro-4-methylpentan-2-one
CID 84648185
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
CID 138046468
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
N,N,2-trimethyl-3-oxopentanamide
CID 11205913
3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide
CID 24977093
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
2,2-difluoro-N-methylacetohydrazide
CID 23268501

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,3-trimethylbutanamide?
The IUPAC name of 2-fluoro-N,N,3-trimethylbutanamide (CID 130964649) is 2-fluoro-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-fluoro-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-fluoro-N,N,3-trimethylbutanamide is CC(C)C(F)C(=O)N(C)C.
What is the InChIKey of 2-fluoro-N,N,3-trimethylbutanamide?
The InChIKey is SSUACVWIWBGVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3.
What are the key properties of 2-fluoro-N,N,3-trimethylbutanamide?
2-fluoro-N,N,3-trimethylbutanamide has a molecular weight of 147.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,3-trimethylbutanamide is sourced from PubChem (CID 130964649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).