N-fluoroethanamine;4-methylmorpholine

C7H17FN2O — CID 142858487

IUPACN-fluoroethanamine;4-methylmorpholine
SMILESCCNF.CN1CCOCC1
InChIInChI=1S/C5H11NO.C2H6FN/c1-6-2-4-7-5-3-6;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3
InChIKeyPARXADVYTRSFKI-UHFFFAOYSA-N
MW164.22 g/mol
LogP0.43
Rot. Bonds1

About N-fluoroethanamine;4-methylmorpholine

N-fluoroethanamine;4-methylmorpholine (PubChem CID 142858487) has the molecular formula C7H17FN2O and a molecular weight of 164.22 g/mol. Its IUPAC name is N-fluoroethanamine;4-methylmorpholine.

Molecular Properties

Compound NameN-fluoroethanamine;4-methylmorpholine
PubChem CID142858487
Molecular FormulaC7H17FN2O
Molecular Weight164.22 g/mol
Exact Mass164.13
IUPAC NameN-fluoroethanamine;4-methylmorpholine
SMILESCCNF.CN1CCOCC1
InChIInChI=1S/C5H11NO.C2H6FN/c1-6-2-4-7-5-3-6;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3
InChIKeyPARXADVYTRSFKI-UHFFFAOYSA-N
XLogP0.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;bis(4-methylmorpholine)
CID 159010392
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
N-methoxyethanamine;4-methylmorpholine
CID 87264829
lithium;4-methylmorpholine;chloride
CID 172748649
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
1-ethylpiperidine;4-methylmorpholine
CID 70445137
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
7-methyl-1,4,7-dioxazecane
CID 59020799
2,3-dimethylbutane-2,3-diamine;4-methylmorpholine
CID 175487016
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
4-methylmorpholine;sulfuric acid
CID 146295231

Frequently Asked Questions

What is the IUPAC name of N-fluoroethanamine;4-methylmorpholine?
The IUPAC name of N-fluoroethanamine;4-methylmorpholine (CID 142858487) is N-fluoroethanamine;4-methylmorpholine.
What is the SMILES notation for N-fluoroethanamine;4-methylmorpholine?
The canonical SMILES for N-fluoroethanamine;4-methylmorpholine is CCNF.CN1CCOCC1.
What is the InChIKey of N-fluoroethanamine;4-methylmorpholine?
The InChIKey is PARXADVYTRSFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6FN/c1-6-2-4-7-5-3-6;1-2-4-3/h2-5H2,1H3;4H,2H2,1H3.
What are the key properties of N-fluoroethanamine;4-methylmorpholine?
N-fluoroethanamine;4-methylmorpholine has a molecular weight of 164.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoroethanamine;4-methylmorpholine is sourced from PubChem (CID 142858487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).