N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C20H28FNO3 — CID 86793841

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFc1cccc(C2(CNC3CCC4(CC3)OCCO4)CCOCC2)c1
InChIInChI=1S/C20H28FNO3/c21-17-3-1-2-16(14-17)19(8-10-23-11-9-19)15-22-18-4-6-20(7-5-18)24-12-13-25-20/h1-3,14,18,22H,4-13,15H2
InChIKeyQZLZIRFDPKJGED-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.15
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 86793841) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID86793841
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFc1cccc(C2(CNC3CCC4(CC3)OCCO4)CCOCC2)c1
InChIInChI=1S/C20H28FNO3/c21-17-3-1-2-16(14-17)19(8-10-23-11-9-19)15-22-18-4-6-20(7-5-18)24-12-13-25-20/h1-3,14,18,22H,4-13,15H2
InChIKeyQZLZIRFDPKJGED-UHFFFAOYSA-N
XLogP3.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 86793841) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine is Fc1cccc(C2(CNC3CCC4(CC3)OCCO4)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QZLZIRFDPKJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c21-17-3-1-2-16(14-17)19(8-10-23-11-9-19)15-22-18-4-6-20(7-5-18)24-12-13-25-20/h1-3,14,18,22H,4-13,15H2.
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 349.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 86793841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).