6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol

C14H23F3O2S — CID 116535978

IUPAC6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H23F3O2S/c1-12(18,4-2-5-14(15,16)17)11-3-7-19-13(9-11)6-8-20-10-13/h11,18H,2-10H2,1H3
InChIKeyRKZIDQOTSQIHTP-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.77
Rot. Bonds4

About 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol

6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol (PubChem CID 116535978) has the molecular formula C14H23F3O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol
PubChem CID116535978
Molecular FormulaC14H23F3O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H23F3O2S/c1-12(18,4-2-5-14(15,16)17)11-3-7-19-13(9-11)6-8-20-10-13/h11,18H,2-10H2,1H3
InChIKeyRKZIDQOTSQIHTP-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol (CID 116535978) is 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol is CC(O)(CCCC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol?
The InChIKey is RKZIDQOTSQIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2S/c1-12(18,4-2-5-14(15,16)17)11-3-7-19-13(9-11)6-8-20-10-13/h11,18H,2-10H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol?
6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol has a molecular weight of 312.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hexan-2-ol is sourced from PubChem (CID 116535978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).