(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

C19H17F3N2O2 — CID 130394481

IUPAC(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILES[H]/N=C1\c2ccc(/C=N/[H])cc2CCC1C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)18(25)16-8-4-13-9-11(10-23)1-7-15(13)17(16)24/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+
InChIKeyFJVZJQJMZMRELH-QLQRLZGLSA-N
MW362.35 g/mol
LogP4.25
Rot. Bonds4

About (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 130394481) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID130394481
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILES[H]/N=C1\c2ccc(/C=N/[H])cc2CCC1C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)18(25)16-8-4-13-9-11(10-23)1-7-15(13)17(16)24/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+
InChIKeyFJVZJQJMZMRELH-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 (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (CID 130394481) is (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is [H]/N=C1\c2ccc(/C=N/[H])cc2CCC1C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FJVZJQJMZMRELH-QLQRLZGLSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)26-14-5-2-12(3-6-14)18(25)16-8-4-13-9-11(10-23)1-7-15(13)17(16)24/h1-3,5-7,9-10,16,18,23-25H,4,8H2/b23-10+,24-17+.
What are the key properties of (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol 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 (1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 130394481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).