3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide

C7H14F2N2O — CID 81489755

IUPAC3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O/c1-7(2,10)3-6(12)11-4-5(8)9/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyLUVLOJJFPNRGEK-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide

3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide (PubChem CID 81489755) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
PubChem CID81489755
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O/c1-7(2,10)3-6(12)11-4-5(8)9/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyLUVLOJJFPNRGEK-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81487620
N-butyl-3-(butylamino)-2,2-difluoropropanamide
CID 14093530
N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 18409432
N-(4-amino-1,1-difluorobutan-2-yl)propanamide
CID 20468450
3-amino-N-ethyl-2,4-difluorobutanamide
CID 20479080
N-(4-amino-1,3,3-trifluorobutan-2-yl)propanamide
CID 20479090
3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide
CID 20508332
3-amino-N-ethyl-4-fluorobutanamide
CID 20508334
3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 21018647
4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide
CID 23548714
2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 57895637
N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide
CID 59105658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide (CID 81489755) is 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide?
The InChIKey is LUVLOJJFPNRGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-7(2,10)3-6(12)11-4-5(8)9/h5H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide?
3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide has a molecular weight of 180.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide is sourced from PubChem (CID 81489755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).