azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid

C17H40FN2O4P — CID 174921461

IUPACazane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid
SMILESCCCCCCCCCCCCN1CCOC(C)C1.N.O=P(O)(O)F
InChIInChI=1S/C17H35NO.FH2O3P.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;1-5(2,3)4;/h17H,3-16H2,1-2H3;(H2,2,3,4);1H3
InChIKeyUACVUQZEDJINQO-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.84
Rot. Bonds11

About azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid

azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid (PubChem CID 174921461) has the molecular formula C17H40FN2O4P and a molecular weight of 386.49 g/mol. Its IUPAC name is azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid.

Molecular Properties

Compound Nameazane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid
PubChem CID174921461
Molecular FormulaC17H40FN2O4P
Molecular Weight386.49 g/mol
Exact Mass386.27
IUPAC Nameazane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid
SMILESCCCCCCCCCCCCN1CCOC(C)C1.N.O=P(O)(O)F
InChIInChI=1S/C17H35NO.FH2O3P.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;1-5(2,3)4;/h17H,3-16H2,1-2H3;(H2,2,3,4);1H3
InChIKeyUACVUQZEDJINQO-UHFFFAOYSA-N
XLogP4.84
TPSA105.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-dodecyl-2-ethylmorpholine
CID 4616518
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
(2S)-2-butyl-4-decylmorpholine
CID 98152093
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]propanamide
CID 71113606
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657

Frequently Asked Questions

What is the IUPAC name of azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid?
The IUPAC name of azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid (CID 174921461) is azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid.
What is the SMILES notation for azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid?
The canonical SMILES for azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid is CCCCCCCCCCCCN1CCOC(C)C1.N.O=P(O)(O)F.
What is the InChIKey of azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid?
The InChIKey is UACVUQZEDJINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.FH2O3P.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;1-5(2,3)4;/h17H,3-16H2,1-2H3;(H2,2,3,4);1H3.
What are the key properties of azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid?
azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid has a molecular weight of 386.49 g/mol, XLogP of 4.84, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid is sourced from PubChem (CID 174921461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).