8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene

C15H10ClF3N4O3 — CID 89368177

IUPAC8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
SMILESFC(F)(F)Oc1cccc(-c2nnc3c4c(c(Cl)nn23)OCCCO4)c1
InChIInChI=1S/C15H10ClF3N4O3/c16-12-10-11(25-6-2-5-24-10)14-21-20-13(23(14)22-12)8-3-1-4-9(7-8)26-15(17,18)19/h1,3-4,7H,2,5-6H2
InChIKeyBHTQRBLTIHOOTK-UHFFFAOYSA-N
MW386.72 g/mol
LogP3.50
Rot. Bonds2

About 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene

8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene (PubChem CID 89368177) has the molecular formula C15H10ClF3N4O3 and a molecular weight of 386.72 g/mol. Its IUPAC name is 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
PubChem CID89368177
Molecular FormulaC15H10ClF3N4O3
Molecular Weight386.72 g/mol
Exact Mass386.04
IUPAC Name8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
SMILESFC(F)(F)Oc1cccc(-c2nnc3c4c(c(Cl)nn23)OCCCO4)c1
InChIInChI=1S/C15H10ClF3N4O3/c16-12-10-11(25-6-2-5-24-10)14-21-20-13(23(14)22-12)8-3-1-4-9(7-8)26-15(17,18)19/h1,3-4,7H,2,5-6H2
InChIKeyBHTQRBLTIHOOTK-UHFFFAOYSA-N
XLogP3.50
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene with MolForge

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Related Compounds

N-ethyl-10-methyl-N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 67306001
1-methyl-4-[[10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-yl]amino]cyclohexan-1-ol
CID 168908359
[7-[10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-yl]-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 71294578
N-[2-(2,3-dihydropyridin-3-yl)ethyl]-10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 90084244
10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine
CID 71294319
N-(7-azaspiro[3.5]nonan-2-yl)-10,12,12-trimethyl-5-[3-(trifluoromethoxy)phenyl]-14-oxa-3,4,6,7,10-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraen-8-amine;ethane
CID 144503363
8-chloro-5-(4-methoxyphenyl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene;8-chloro-5-(4-methoxyphenyl)-13-methyl-10-oxa-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 159622666
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
8-chloro-5-[4-(trifluoromethyl)-1-benzothiophen-2-yl]spiro[10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene-12,1'-cyclopropane]
CID 89368172
3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 134360128
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene?
The IUPAC name of 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene (CID 89368177) is 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene.
What is the SMILES notation for 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene?
The canonical SMILES for 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene is FC(F)(F)Oc1cccc(-c2nnc3c4c(c(Cl)nn23)OCCCO4)c1.
What is the InChIKey of 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene?
The InChIKey is BHTQRBLTIHOOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O3/c16-12-10-11(25-6-2-5-24-10)14-21-20-13(23(14)22-12)8-3-1-4-9(7-8)26-15(17,18)19/h1,3-4,7H,2,5-6H2.
What are the key properties of 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene?
8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene has a molecular weight of 386.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene is sourced from PubChem (CID 89368177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).