4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide

C11H16F5NO4 — CID 159266230

IUPAC4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCOC1OCC(CNC(=O)CCC(F)(F)CC(F)(F)F)O1
InChIInChI=1S/C11H16F5NO4/c1-19-9-20-5-7(21-9)4-17-8(18)2-3-10(12,13)6-11(14,15)16/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyMSLRXZVQLXUQPN-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.82
Rot. Bonds7

About 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide

4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide (PubChem CID 159266230) has the molecular formula C11H16F5NO4 and a molecular weight of 321.24 g/mol. Its IUPAC name is 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide.

Molecular Properties

Compound Name4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide
PubChem CID159266230
Molecular FormulaC11H16F5NO4
Molecular Weight321.24 g/mol
Exact Mass321.10
IUPAC Name4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCOC1OCC(CNC(=O)CCC(F)(F)CC(F)(F)F)O1
InChIInChI=1S/C11H16F5NO4/c1-19-9-20-5-7(21-9)4-17-8(18)2-3-10(12,13)6-11(14,15)16/h7,9H,2-6H2,1H3,(H,17,18)
InChIKeyMSLRXZVQLXUQPN-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide with MolForge

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Related Compounds

N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
CID 146656254
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
CID 90969761
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N-(morpholin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206342
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide?
The IUPAC name of 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide (CID 159266230) is 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide.
What is the SMILES notation for 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide?
The canonical SMILES for 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide is COC1OCC(CNC(=O)CCC(F)(F)CC(F)(F)F)O1.
What is the InChIKey of 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide?
The InChIKey is MSLRXZVQLXUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO4/c1-19-9-20-5-7(21-9)4-17-8(18)2-3-10(12,13)6-11(14,15)16/h7,9H,2-6H2,1H3,(H,17,18).
What are the key properties of 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide?
4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide has a molecular weight of 321.24 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide is sourced from PubChem (CID 159266230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).