6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene

C16H17F3N2 — CID 170406532

IUPAC6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESFC(F)(F)c1ccc2c3c([nH]c2c1)C1CCCN(CC3)C1
InChIInChI=1S/C16H17F3N2/c17-16(18,19)11-3-4-12-13-5-7-21-6-1-2-10(9-21)15(13)20-14(12)8-11/h3-4,8,10,20H,1-2,5-7,9H2
InChIKeyCMTOQDAHCSXQES-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.92
Rot. Bonds

About 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene

6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (PubChem CID 170406532) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
PubChem CID170406532
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
SMILESFC(F)(F)c1ccc2c3c([nH]c2c1)C1CCCN(CC3)C1
InChIInChI=1S/C16H17F3N2/c17-16(18,19)11-3-4-12-13-5-7-21-6-1-2-10(9-21)15(13)20-14(12)8-11/h3-4,8,10,20H,1-2,5-7,9H2
InChIKeyCMTOQDAHCSXQES-UHFFFAOYSA-N
XLogP3.92
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,9-dioxa-3,16-diazapentacyclo[14.3.1.02,13.04,12.06,10]icosa-2(13),4,6(10),11-tetraene;molecular hydrogen
CID 164872654
3-ethyl-9-(trifluoromethyl)-1,2,4,5,6,7-hexahydroazocino[5,4-b]indole
CID 164872702
(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 124581684
N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
CID 3127171
cyclopentyl-[1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 16722608
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262896
4-[(3-oxocyclobutyl)amino]-7-(trifluoromethyl)-1H-quinolin-2-one
CID 175707358
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
3-ethyl-10-(trifluoromethyl)-1,2,4,5,6,7-hexahydroazocino[5,4-b]indole
CID 164872566
21-[[4-(trifluoromethyl)phenyl]methyl]-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
CID 171457813
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene (CID 170406532) is 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is FC(F)(F)c1ccc2c3c([nH]c2c1)C1CCCN(CC3)C1.
What is the InChIKey of 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
The InChIKey is CMTOQDAHCSXQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c17-16(18,19)11-3-4-12-13-5-7-21-6-1-2-10(9-21)15(13)20-14(12)8-11/h3-4,8,10,20H,1-2,5-7,9H2.
What are the key properties of 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene?
6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene has a molecular weight of 294.32 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 170406532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).