6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C19H17F3N2O2 — CID 130394480

IUPAC6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILES[H]/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCc2cc(/C=N/[H])ccc2C1O
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)17(24)16-8-4-13-9-11(10-23)1-7-15(13)18(16)25/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+
InChIKeyFSCNJHUSKUTETF-QLQRLZGLSA-N
MW362.35 g/mol
LogP4.25
Rot. Bonds4

About 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol

6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 130394480) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID130394480
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILES[H]/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCc2cc(/C=N/[H])ccc2C1O
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)17(24)16-8-4-13-9-11(10-23)1-7-15(13)18(16)25/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+
InChIKeyFSCNJHUSKUTETF-QLQRLZGLSA-N
XLogP4.25
TPSA77.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 130394480) is 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol is [H]/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCc2cc(/C=N/[H])ccc2C1O.
What is the InChIKey of 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FSCNJHUSKUTETF-QLQRLZGLSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)17(24)16-8-4-13-9-11(10-23)1-7-15(13)18(16)25/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+.
What are the key properties of 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 362.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 130394480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).