(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide

C7H11F4NO2 — CID 134261000

IUPAC(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)N(CC(F)F)CC(F)F
InChIInChI=1S/C7H11F4NO2/c1-4(13)7(14)12(2-5(8)9)3-6(10)11/h4-6,13H,2-3H2,1H3/t4-/m0/s1
InChIKeyCHTPFFOXSSMMAB-BYPYZUCNSA-N
MW217.16 g/mol
LogP0.73
Rot. Bonds5

About (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide

(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide (PubChem CID 134261000) has the molecular formula C7H11F4NO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide
PubChem CID134261000
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)N(CC(F)F)CC(F)F
InChIInChI=1S/C7H11F4NO2/c1-4(13)7(14)12(2-5(8)9)3-6(10)11/h4-6,13H,2-3H2,1H3/t4-/m0/s1
InChIKeyCHTPFFOXSSMMAB-BYPYZUCNSA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide (CID 134261000) is (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide is C[C@H](O)C(=O)N(CC(F)F)CC(F)F.
What is the InChIKey of (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide?
The InChIKey is CHTPFFOXSSMMAB-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F4NO2/c1-4(13)7(14)12(2-5(8)9)3-6(10)11/h4-6,13H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide?
(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide has a molecular weight of 217.16 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide is sourced from PubChem (CID 134261000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).