N-(2,2-difluorobutyl)-2-methylbutanamide

C9H17F2NO — CID 89412027

IUPACN-(2,2-difluorobutyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)(F)CC
InChIInChI=1S/C9H17F2NO/c1-4-7(3)8(13)12-6-9(10,11)5-2/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyFQDVPAQYOIWMLX-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.19
Rot. Bonds5

About N-(2,2-difluorobutyl)-2-methylbutanamide

N-(2,2-difluorobutyl)-2-methylbutanamide (PubChem CID 89412027) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)-2-methylbutanamide
PubChem CID89412027
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-(2,2-difluorobutyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)(F)CC
InChIInChI=1S/C9H17F2NO/c1-4-7(3)8(13)12-6-9(10,11)5-2/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyFQDVPAQYOIWMLX-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Butanamide, N-(2-methylpropyl)-
CID 346250
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N-(2-Butyl)heptafluorobutyramide
CID 617516
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
N-(3-Methylbutyl)propanamide
CID 5152799
Butanamide, 3-methyl-N-propyl
CID 528603
Isobutyramide, N-(3-methylbutyl)-
CID 4083229

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)-2-methylbutanamide?
The IUPAC name of N-(2,2-difluorobutyl)-2-methylbutanamide (CID 89412027) is N-(2,2-difluorobutyl)-2-methylbutanamide.
What is the SMILES notation for N-(2,2-difluorobutyl)-2-methylbutanamide?
The canonical SMILES for N-(2,2-difluorobutyl)-2-methylbutanamide is CCC(C)C(=O)NCC(F)(F)CC.
What is the InChIKey of N-(2,2-difluorobutyl)-2-methylbutanamide?
The InChIKey is FQDVPAQYOIWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-4-7(3)8(13)12-6-9(10,11)5-2/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-difluorobutyl)-2-methylbutanamide?
N-(2,2-difluorobutyl)-2-methylbutanamide has a molecular weight of 193.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)-2-methylbutanamide is sourced from PubChem (CID 89412027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).