2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide

C14H20F4N2O4 — CID 2166371

IUPAC2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide
SMILESO=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22)/t9-,10-/m1/s1
InChIKeyNLBADXVGXHHXRI-NXEZZACHSA-N
MW356.32 g/mol
LogP0.85
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide

2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide (PubChem CID 2166371) has the molecular formula C14H20F4N2O4 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide
PubChem CID2166371
Molecular FormulaC14H20F4N2O4
Molecular Weight356.32 g/mol
Exact Mass356.14
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide
SMILESO=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22)/t9-,10-/m1/s1
InChIKeyNLBADXVGXHHXRI-NXEZZACHSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(tetrahydrofuran-2-ylmethyl)pentanediamide
CID 2930688
2,2,3,3-Tetrafluoro-N,N'-bis(tetrahydro-2-furanylmethyl)succinamide
CID 2933142
2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
CID 5237136
2,2,3,3-tetrafluoro-N-[[(2S)-oxolan-2-yl]methyl]-N'-[[(2R)-oxolan-2-yl]methyl]butanediamide
CID 2166370
2,2,3,3-tetrafluoro-N,N'-bis[[(2S)-oxolan-2-yl]methyl]butanediamide
CID 2166372
2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
CID 4083879
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
CID 4206975
2,2,3,3,4,4,4-heptafluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 40436336
2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40551150
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propanamide
CID 45806630
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227443
N-(oxolan-2-ylmethyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 84362402

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide (CID 2166371) is 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide is O=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide?
The InChIKey is NLBADXVGXHHXRI-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22)/t9-,10-/m1/s1.
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide has a molecular weight of 356.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide is sourced from PubChem (CID 2166371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).