1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C15H23F3O2S — CID 79906886

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3O2S/c16-15(17,18)11-1-4-14(19,5-2-11)12-3-7-20-13(9-12)6-8-21-10-13/h11-12,19H,1-10H2
InChIKeyKSMQCJCKUORZRP-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.77
Rot. Bonds1

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79906886) has the molecular formula C15H23F3O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79906886
Molecular FormulaC15H23F3O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3O2S/c16-15(17,18)11-1-4-14(19,5-2-11)12-3-7-20-13(9-12)6-8-21-10-13/h11-12,19H,1-10H2
InChIKeyKSMQCJCKUORZRP-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908105
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912378
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxolane-3-carboxylic acid
CID 79902944
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 79906886) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCOC3(CCSC3)C2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KSMQCJCKUORZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O2S/c16-15(17,18)11-1-4-14(19,5-2-11)12-3-7-20-13(9-12)6-8-21-10-13/h11-12,19H,1-10H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 324.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79906886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).