3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide

C7H12F2N2O2 — CID 107168222

IUPAC3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2/c1-7(2,3-4(10)12)11-6(13)5(8)9/h5H,3H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyMOHFWIDRTQFBHM-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.02
Rot. Bonds4

About 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide

3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide (PubChem CID 107168222) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide
PubChem CID107168222
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2/c1-7(2,3-4(10)12)11-6(13)5(8)9/h5H,3H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyMOHFWIDRTQFBHM-UHFFFAOYSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide (CID 107168222) is 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC(=O)C(F)F.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide?
The InChIKey is MOHFWIDRTQFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-7(2,3-4(10)12)11-6(13)5(8)9/h5H,3H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide?
3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide has a molecular weight of 194.18 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 107168222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).