2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H17F5N2O — CID 143058237

IUPAC2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(F)(F)C(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F5N2O/c1-6(2)9(11,12)4-16-7(3)8(18)17-5-10(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyJGJYGZJCWHVXQW-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.93
Rot. Bonds6

About 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 143058237) has the molecular formula C10H17F5N2O and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID143058237
Molecular FormulaC10H17F5N2O
Molecular Weight276.25 g/mol
Exact Mass276.13
IUPAC Name2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(F)(F)C(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F5N2O/c1-6(2)9(11,12)4-16-7(3)8(18)17-5-10(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyJGJYGZJCWHVXQW-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 143058237) is 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(F)(F)C(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JGJYGZJCWHVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5N2O/c1-6(2)9(11,12)4-16-7(3)8(18)17-5-10(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 143058237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).