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

C14H17ClFNO2 — CID 79897441

IUPACN-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c15-12-7-10(16)1-2-13(12)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeySDJCBTKEMYXSPF-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.23
Rot. Bonds2

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

N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79897441) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79897441
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c15-12-7-10(16)1-2-13(12)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeySDJCBTKEMYXSPF-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107611321
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
1-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 79909223
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908885

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79897441) is N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Fc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is SDJCBTKEMYXSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-7-10(16)1-2-13(12)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 285.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).