N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide

C8H16F2N2O — CID 165448650

IUPACN-(3-amino-4,4-difluoro-3-methylbutyl)propanamide
SMILESCCC(=O)NCCC(C)(N)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-6(13)12-5-4-8(2,11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyHKXVPEAIHVOXND-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.89
Rot. Bonds5

About N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide

N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide (PubChem CID 165448650) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4,4-difluoro-3-methylbutyl)propanamide
PubChem CID165448650
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameN-(3-amino-4,4-difluoro-3-methylbutyl)propanamide
SMILESCCC(=O)NCCC(C)(N)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-3-6(13)12-5-4-8(2,11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyHKXVPEAIHVOXND-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide?
The IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide (CID 165448650) is N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide.
What is the SMILES notation for N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide?
The canonical SMILES for N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide is CCC(=O)NCCC(C)(N)C(F)F.
What is the InChIKey of N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide?
The InChIKey is HKXVPEAIHVOXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-3-6(13)12-5-4-8(2,11)7(9)10/h7H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide?
N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide has a molecular weight of 194.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4-difluoro-3-methylbutyl)propanamide is sourced from PubChem (CID 165448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).