(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine

C19H37F2NO — CID 168720246

IUPAC(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine
SMILESCCCCCCCCCCCC(F)(F)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H37F2NO/c1-4-5-6-7-8-9-10-11-12-13-19(20,21)16-22-14-17(2)23-18(3)15-22/h17-18H,4-16H2,1-3H3/t17-,18+
InChIKeySLXRDCMTDBZLHU-HDICACEKSA-N
MW333.51 g/mol
LogP5.65
Rot. Bonds12

About (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine

(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine (PubChem CID 168720246) has the molecular formula C19H37F2NO and a molecular weight of 333.51 g/mol. Its IUPAC name is (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine
PubChem CID168720246
Molecular FormulaC19H37F2NO
Molecular Weight333.51 g/mol
Exact Mass333.28
IUPAC Name(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine
SMILESCCCCCCCCCCCC(F)(F)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H37F2NO/c1-4-5-6-7-8-9-10-11-12-13-19(20,21)16-22-14-17(2)23-18(3)15-22/h17-18H,4-16H2,1-3H3/t17-,18+
InChIKeySLXRDCMTDBZLHU-HDICACEKSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine (CID 168720246) is (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine is CCCCCCCCCCCC(F)(F)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine?
The InChIKey is SLXRDCMTDBZLHU-HDICACEKSA-N. The full InChI is InChI=1S/C19H37F2NO/c1-4-5-6-7-8-9-10-11-12-13-19(20,21)16-22-14-17(2)23-18(3)15-22/h17-18H,4-16H2,1-3H3/t17-,18+.
What are the key properties of (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine has a molecular weight of 333.51 g/mol, XLogP of 5.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2,2-difluorotridecyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 168720246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).