N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C14H16BrClFNO2 — CID 107611321

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1cc(Cl)c(NC2CCOC3(CCOC3)C2)c(Br)c1
InChIInChI=1S/C14H16BrClFNO2/c15-11-5-9(17)6-12(16)13(11)18-10-1-3-20-14(7-10)2-4-19-8-14/h5-6,10,18H,1-4,7-8H2
InChIKeyGFUSFLWTXHGDKA-UHFFFAOYSA-N
MW364.64 g/mol
LogP3.99
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 107611321) has the molecular formula C14H16BrClFNO2 and a molecular weight of 364.64 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID107611321
Molecular FormulaC14H16BrClFNO2
Molecular Weight364.64 g/mol
Exact Mass363.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1cc(Cl)c(NC2CCOC3(CCOC3)C2)c(Br)c1
InChIInChI=1S/C14H16BrClFNO2/c15-11-5-9(17)6-12(16)13(11)18-10-1-3-20-14(7-10)2-4-19-8-14/h5-6,10,18H,1-4,7-8H2
InChIKeyGFUSFLWTXHGDKA-UHFFFAOYSA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 107611321) is N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Fc1cc(Cl)c(NC2CCOC3(CCOC3)C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is GFUSFLWTXHGDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO2/c15-11-5-9(17)6-12(16)13(11)18-10-1-3-20-14(7-10)2-4-19-8-14/h5-6,10,18H,1-4,7-8H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 364.64 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107611321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).