N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H17FINOS — CID 79903933

IUPACN-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCSC3)C2)c(I)c1
InChIInChI=1S/C14H17FINOS/c15-10-1-2-13(12(16)7-10)17-11-3-5-18-14(8-11)4-6-19-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyNOFVFLPIGVGNDN-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.90
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79903933) has the molecular formula C14H17FINOS and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79903933
Molecular FormulaC14H17FINOS
Molecular Weight393.27 g/mol
Exact Mass393.01
IUPAC NameN-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCSC3)C2)c(I)c1
InChIInChI=1S/C14H17FINOS/c15-10-1-2-13(12(16)7-10)17-11-3-5-18-14(8-11)4-6-19-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyNOFVFLPIGVGNDN-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
N-(2-tert-butylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900190
N-(4-bromo-2-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81293067
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79903933) is N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is Fc1ccc(NC2CCOC3(CCSC3)C2)c(I)c1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is NOFVFLPIGVGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINOS/c15-10-1-2-13(12(16)7-10)17-11-3-5-18-14(8-11)4-6-19-9-14/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 393.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).