N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H17F2NOS — CID 79898248

IUPACN-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCSC3)C2)c(F)c1
InChIInChI=1S/C14H17F2NOS/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
InChIKeyQWBSSHWTNVBRAU-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.43
Rot. Bonds2

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

N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79898248) has the molecular formula C14H17F2NOS and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79898248
Molecular FormulaC14H17F2NOS
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1ccc(NC2CCOC3(CCSC3)C2)c(F)c1
InChIInChI=1S/C14H17F2NOS/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
InChIKeyQWBSSHWTNVBRAU-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
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-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
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-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79898248) is N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is Fc1ccc(NC2CCOC3(CCSC3)C2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is QWBSSHWTNVBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS/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-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 285.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).