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

C12H22F2N2O2 — CID 130396745

IUPACN-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)(C)C)C(=O)NCC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-7(2)9(10(17)15-6-8(13)14)16-11(18)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyLOLSVPMMGWLHDL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.55
Rot. Bonds5

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

N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide (PubChem CID 130396745) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide
PubChem CID130396745
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)(C)C)C(=O)NCC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-7(2)9(10(17)15-6-8(13)14)16-11(18)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyLOLSVPMMGWLHDL-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide (CID 130396745) is N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide is CC(C)C(NC(=O)C(C)(C)C)C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide?
The InChIKey is LOLSVPMMGWLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-7(2)9(10(17)15-6-8(13)14)16-11(18)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide?
N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide is sourced from PubChem (CID 130396745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).