8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol

C14H16F3NOS — CID 106781955

IUPAC8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(c2cnc(C(F)(F)F)s2)CC2CC1C1CCCC21
InChIInChI=1S/C14H16F3NOS/c15-14(16,17)12-18-6-11(20-12)13(19)5-7-4-10(13)9-3-1-2-8(7)9/h6-10,19H,1-5H2
InChIKeyRMVGYYOGNGJMTC-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.81
Rot. Bonds1

About 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol

8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 106781955) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID106781955
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(c2cnc(C(F)(F)F)s2)CC2CC1C1CCCC21
InChIInChI=1S/C14H16F3NOS/c15-14(16,17)12-18-6-11(20-12)13(19)5-7-4-10(13)9-3-1-2-8(7)9/h6-10,19H,1-5H2
InChIKeyRMVGYYOGNGJMTC-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol (CID 106781955) is 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol is OC1(c2cnc(C(F)(F)F)s2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is RMVGYYOGNGJMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NOS/c15-14(16,17)12-18-6-11(20-12)13(19)5-7-4-10(13)9-3-1-2-8(7)9/h6-10,19H,1-5H2.
What are the key properties of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol?
8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 303.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 106781955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).