(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C15H13F3N2O2 — CID 91613941

IUPAC(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H]2N1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)7-2-1-3-8(6-7)20-13(21)11-9-4-5-10(19-9)12(11)14(20)22/h1-3,6,9-10,19,21-22H,4-5H2/t9-,10+
InChIKeyCPIVGMRUTDUERU-AOOOYVTPSA-N
MW310.28 g/mol
LogP3.39
Rot. Bonds1

About (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 91613941) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID91613941
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H]2N1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)7-2-1-3-8(6-7)20-13(21)11-9-4-5-10(19-9)12(11)14(20)22/h1-3,6,9-10,19,21-22H,4-5H2/t9-,10+
InChIKeyCPIVGMRUTDUERU-AOOOYVTPSA-N
XLogP3.39
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,7R)-4-[4-amino-3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90909788
4-[3-(Trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91193821
4-[3-(Trifluoromethyl)phenyl]-4,8-diazatricyclo[5.2.2.02,6]undeca-2,5-diene-3,5-diol
CID 91271804
4-(3,5-Dihydroxy-1,7-dimethyl-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)-2-(trifluoromethyl)benzonitrile
CID 91328267
4-(3,5-Dihydroxy-1,7,10-trimethyl-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)-2-(trifluoromethyl)benzonitrile
CID 91458235
(1S,7R)-4-[3-(trifluoromethyl)phenyl]-4,8-diazatricyclo[5.2.2.02,6]undeca-2,5-diene-3,5-diol
CID 91467634
(4R,7S)-2-[4-amino-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-diol
CID 91546455
(1S,7R)-4-[3-amino-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91612082
4-(4-Nitronaphthalen-1-yl)-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 90807897
2-Benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
CID 90825798
4-(4-Bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 90892125
5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
CID 90951245

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 91613941) is (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H]2N1.
What is the InChIKey of (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is CPIVGMRUTDUERU-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)7-2-1-3-8(6-7)20-13(21)11-9-4-5-10(19-9)12(11)14(20)22/h1-3,6,9-10,19,21-22H,4-5H2/t9-,10+.
What are the key properties of (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
(1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 310.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-4-[3-(trifluoromethyl)phenyl]-4,10-diazatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 91613941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).