(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H17BrF2O2S — CID 115823429

IUPAC(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1c(F)cc(Br)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H17BrF2O2S/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-20-15(7-9)2-4-21-8-15/h5-6,9,14,19H,1-4,7-8H2
InChIKeyWMCYNUHRCSKZPE-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.06
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 115823429) has the molecular formula C15H17BrF2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID115823429
Molecular FormulaC15H17BrF2O2S
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC Name(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1c(F)cc(Br)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H17BrF2O2S/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-20-15(7-9)2-4-21-8-15/h5-6,9,14,19H,1-4,7-8H2
InChIKeyWMCYNUHRCSKZPE-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
(3-bromo-5-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79912132
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105280900
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(3-bromo-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017770
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
(3-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921119
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 115823429) is (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(c1c(F)cc(Br)cc1F)C1CCOC2(CCSC2)C1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is WMCYNUHRCSKZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2O2S/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-20-15(7-9)2-4-21-8-15/h5-6,9,14,19H,1-4,7-8H2.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 379.27 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 115823429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).