4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene

C14H8F3NS — CID 102026271

IUPAC4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene
SMILESFC(F)(F)c1ccc2cc3n(c2c1)Cc1ccsc1-3
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-2-1-8-5-12-13-9(3-4-19-13)7-18(12)11(8)6-10/h1-6H,7H2
InChIKeyXYXYRWBNVGJQER-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.75
Rot. Bonds

About 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene

4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene (PubChem CID 102026271) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene.

Molecular Properties

Compound Name4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene
PubChem CID102026271
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene
SMILESFC(F)(F)c1ccc2cc3n(c2c1)Cc1ccsc1-3
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-2-1-8-5-12-13-9(3-4-19-13)7-18(12)11(8)6-10/h1-6H,7H2
InChIKeyXYXYRWBNVGJQER-UHFFFAOYSA-N
XLogP4.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene?
The IUPAC name of 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene (CID 102026271) is 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene.
What is the SMILES notation for 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene?
The canonical SMILES for 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene is FC(F)(F)c1ccc2cc3n(c2c1)Cc1ccsc1-3.
What is the InChIKey of 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene?
The InChIKey is XYXYRWBNVGJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)10-2-1-8-5-12-13-9(3-4-19-13)7-18(12)11(8)6-10/h1-6H,7H2.
What are the key properties of 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene?
4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene has a molecular weight of 279.29 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-11-thia-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8,10(14),12-hexaene is sourced from PubChem (CID 102026271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).