N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine

C16H20FNO2 — CID 23646093

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine
SMILESFC(CNCc1ccc2c(c1)OCO2)=C1CCCCC1
InChIInChI=1S/C16H20FNO2/c17-14(13-4-2-1-3-5-13)10-18-9-12-6-7-15-16(8-12)20-11-19-15/h6-8,18H,1-5,9-11H2
InChIKeyJDLHYRBPXPFPMW-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.69
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine (PubChem CID 23646093) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine
PubChem CID23646093
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine
SMILESFC(CNCc1ccc2c(c1)OCO2)=C1CCCCC1
InChIInChI=1S/C16H20FNO2/c17-14(13-4-2-1-3-5-13)10-18-9-12-6-7-15-16(8-12)20-11-19-15/h6-8,18H,1-5,9-11H2
InChIKeyJDLHYRBPXPFPMW-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine (CID 23646093) is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine is FC(CNCc1ccc2c(c1)OCO2)=C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine?
The InChIKey is JDLHYRBPXPFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14(13-4-2-1-3-5-13)10-18-9-12-6-7-15-16(8-12)20-11-19-15/h6-8,18H,1-5,9-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexylidene-2-fluoroethanamine is sourced from PubChem (CID 23646093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).