(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol

C16H9F6N3O — CID 22296158

IUPAC(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol
SMILES[N-]=[N+]=N[C@@H]1c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc2[C@H]1O
InChIInChI=1S/C16H9F6N3O/c17-15(18,19)7-1-3-9-11(5-7)12-6-8(16(20,21)22)2-4-10(12)14(26)13(9)24-25-23/h1-6,13-14,26H/t13-,14-/m1/s1
InChIKeyXUVLBOHSSZIQRA-ZIAGYGMSSA-N
MW373.26 g/mol
LogP5.79
Rot. Bonds1

About (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol

(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol (PubChem CID 22296158) has the molecular formula C16H9F6N3O and a molecular weight of 373.26 g/mol. Its IUPAC name is (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol.

Molecular Properties

Compound Name(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol
PubChem CID22296158
Molecular FormulaC16H9F6N3O
Molecular Weight373.26 g/mol
Exact Mass373.06
IUPAC Name(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol
SMILES[N-]=[N+]=N[C@@H]1c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc2[C@H]1O
InChIInChI=1S/C16H9F6N3O/c17-15(18,19)7-1-3-9-11(5-7)12-6-8(16(20,21)22)2-4-10(12)14(26)13(9)24-25-23/h1-6,13-14,26H/t13-,14-/m1/s1
InChIKeyXUVLBOHSSZIQRA-ZIAGYGMSSA-N
XLogP5.79
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.26
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(3R,4S)-3-bromo-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-ol
CID 54174415
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol
CID 10519164
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CID 134627752
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CID 150075481
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CID 71818697
2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83092965
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 58591930
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Frequently Asked Questions

What is the IUPAC name of (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol?
The IUPAC name of (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol (CID 22296158) is (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol.
What is the SMILES notation for (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol?
The canonical SMILES for (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol is [N-]=[N+]=N[C@@H]1c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc2[C@H]1O.
What is the InChIKey of (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol?
The InChIKey is XUVLBOHSSZIQRA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H9F6N3O/c17-15(18,19)7-1-3-9-11(5-7)12-6-8(16(20,21)22)2-4-10(12)14(26)13(9)24-25-23/h1-6,13-14,26H/t13-,14-/m1/s1.
What are the key properties of (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol?
(9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol has a molecular weight of 373.26 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-10-azido-3,6-bis(trifluoromethyl)-9,10-dihydrophenanthren-9-ol is sourced from PubChem (CID 22296158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).