N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C15H19ClFNOS — CID 107528319

IUPACN-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1ccc(Cl)c(NC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C15H19ClFNOS/c16-13-2-1-11(17)9-14(13)18-12-3-6-19-15(10-12)4-7-20-8-5-15/h1-2,9,12,18H,3-8,10H2
InChIKeyWXBPTSVJCWSKRE-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.34
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 107528319) has the molecular formula C15H19ClFNOS and a molecular weight of 315.84 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID107528319
Molecular FormulaC15H19ClFNOS
Molecular Weight315.84 g/mol
Exact Mass315.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1ccc(Cl)c(NC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C15H19ClFNOS/c16-13-2-1-11(17)9-14(13)18-12-3-6-19-15(10-12)4-7-20-8-5-15/h1-2,9,12,18H,3-8,10H2
InChIKeyWXBPTSVJCWSKRE-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4,5-trichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79901635
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
N-(4-bromo-2,3-dichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107789020
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(2,4-dibromophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894936
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
(2-chloro-4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79909221
N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 107528319) is N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is Fc1ccc(Cl)c(NC2CCOC3(CCSCC3)C2)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is WXBPTSVJCWSKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNOS/c16-13-2-1-11(17)9-14(13)18-12-3-6-19-15(10-12)4-7-20-8-5-15/h1-2,9,12,18H,3-8,10H2.
What are the key properties of N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 315.84 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 107528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).