N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide

C14H20F4N2O2 — CID 89154126

IUPACN-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide
SMILESC=C(F)/C(NC=O)=C(/F)[C@H](F)C(CF)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20F4N2O2/c1-8-5-20(6-9(2)22-8)11(4-15)12(17)13(18)14(10(3)16)19-7-21/h7-9,11-12H,3-6H2,1-2H3,(H,19,21)/b14-13-/t8?,9?,11?,12-/m1/s1
InChIKeyQGSQPMFWYYUIKV-CXRXTIQNSA-N
MW324.32 g/mol
LogP2.18
Rot. Bonds7

About N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide

N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide (PubChem CID 89154126) has the molecular formula C14H20F4N2O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide
PubChem CID89154126
Molecular FormulaC14H20F4N2O2
Molecular Weight324.32 g/mol
Exact Mass324.15
IUPAC NameN-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide
SMILESC=C(F)/C(NC=O)=C(/F)[C@H](F)C(CF)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20F4N2O2/c1-8-5-20(6-9(2)22-8)11(4-15)12(17)13(18)14(10(3)16)19-7-21/h7-9,11-12H,3-6H2,1-2H3,(H,19,21)/b14-13-/t8?,9?,11?,12-/m1/s1
InChIKeyQGSQPMFWYYUIKV-CXRXTIQNSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide?
The IUPAC name of N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide (CID 89154126) is N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide.
What is the SMILES notation for N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide?
The canonical SMILES for N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide is C=C(F)/C(NC=O)=C(/F)[C@H](F)C(CF)N1CC(C)OC(C)C1.
What is the InChIKey of N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide?
The InChIKey is QGSQPMFWYYUIKV-CXRXTIQNSA-N. The full InChI is InChI=1S/C14H20F4N2O2/c1-8-5-20(6-9(2)22-8)11(4-15)12(17)13(18)14(10(3)16)19-7-21/h7-9,11-12H,3-6H2,1-2H3,(H,19,21)/b14-13-/t8?,9?,11?,12-/m1/s1.
What are the key properties of N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide?
N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide has a molecular weight of 324.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5R)-6-(2,6-dimethylmorpholin-4-yl)-2,4,5,7-tetrafluorohepta-1,3-dien-3-yl]formamide is sourced from PubChem (CID 89154126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).