2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide

C16H20F8N2O4 — CID 4206975

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC1CCCO1
InChIInChI=1S/C16H20F8N2O4/c17-13(18,11(27)25-7-9-3-1-5-29-9)15(21,22)16(23,24)14(19,20)12(28)26-8-10-4-2-6-30-10/h9-10H,1-8H2,(H,25,27)(H,26,28)
InChIKeyQKIAGFGTRZSTOS-UHFFFAOYSA-N
MW456.33 g/mol
LogP2.12
Rot. Bonds9

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide

2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide (PubChem CID 4206975) has the molecular formula C16H20F8N2O4 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
PubChem CID4206975
Molecular FormulaC16H20F8N2O4
Molecular Weight456.33 g/mol
Exact Mass456.13
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC1CCCO1
InChIInChI=1S/C16H20F8N2O4/c17-13(18,11(27)25-7-9-3-1-5-29-9)15(21,22)16(23,24)14(19,20)12(28)26-8-10-4-2-6-30-10/h9-10H,1-8H2,(H,25,27)(H,26,28)
InChIKeyQKIAGFGTRZSTOS-UHFFFAOYSA-N
XLogP2.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 52.12
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

2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078872
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide (CID 4206975) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide is O=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC1CCCO1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide?
The InChIKey is QKIAGFGTRZSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F8N2O4/c17-13(18,11(27)25-7-9-3-1-5-29-9)15(21,22)16(23,24)14(19,20)12(28)26-8-10-4-2-6-30-10/h9-10H,1-8H2,(H,25,27)(H,26,28).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide has a molecular weight of 456.33 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide is sourced from PubChem (CID 4206975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).