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

C15H19ClFNOS — CID 79895581

IUPACN-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1cc(Cl)ccc1NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H19ClFNOS/c16-11-1-2-14(13(17)9-11)18-12-3-6-19-15(10-12)4-7-20-8-5-15/h1-2,9,12,18H,3-8,10H2
InChIKeyGIQFBUSHTDVOPJ-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.34
Rot. Bonds2

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

N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79895581) has the molecular formula C15H19ClFNOS and a molecular weight of 315.84 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79895581
Molecular FormulaC15H19ClFNOS
Molecular Weight315.84 g/mol
Exact Mass315.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1cc(Cl)ccc1NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H19ClFNOS/c16-11-1-2-14(13(17)9-11)18-12-3-6-19-15(10-12)4-7-20-8-5-15/h1-2,9,12,18H,3-8,10H2
InChIKeyGIQFBUSHTDVOPJ-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-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(2,4,5-trichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79901635
N-(4-bromo-2,3-dichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107789020
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-(2,4-dibromophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894936
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
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-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79895581) is N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is Fc1cc(Cl)ccc1NC1CCOC2(CCSCC2)C1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is GIQFBUSHTDVOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNOS/c16-11-1-2-14(13(17)9-11)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-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).