N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide

C8H16F2N2O2 — CID 103810618

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(3-11-2)8(14)12-4-6(13)7(9)10/h5-7,11,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyAHBNZDBLSJRRIY-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.42
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 103810618) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide
PubChem CID103810618
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(3-11-2)8(14)12-4-6(13)7(9)10/h5-7,11,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyAHBNZDBLSJRRIY-UHFFFAOYSA-N
XLogP-0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide (CID 103810618) is N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is AHBNZDBLSJRRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-5(3-11-2)8(14)12-4-6(13)7(9)10/h5-7,11,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 210.22 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 103810618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).