7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile

C19H16F3NO2 — CID 90027990

IUPAC7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile
SMILESN#Cc1c(OC2CCC(C(F)(F)F)CC2)ccc2ccc(C=O)cc12
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)14-4-6-15(7-5-14)25-18-8-3-13-2-1-12(11-24)9-16(13)17(18)10-23/h1-3,8-9,11,14-15H,4-7H2
InChIKeyADCWLDJVQOXFEI-UHFFFAOYSA-N
MW347.34 g/mol
LogP5.02
Rot. Bonds3

About 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile

7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile (PubChem CID 90027990) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile
PubChem CID90027990
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile
SMILESN#Cc1c(OC2CCC(C(F)(F)F)CC2)ccc2ccc(C=O)cc12
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)14-4-6-15(7-5-14)25-18-8-3-13-2-1-12(11-24)9-16(13)17(18)10-23/h1-3,8-9,11,14-15H,4-7H2
InChIKeyADCWLDJVQOXFEI-UHFFFAOYSA-N
XLogP5.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Cyanophenyl)-3-[(Propan-2-Yl)oxy]naphthalene-2-Carboxamide
CID 126970816
2-(Benzyloxy)-1-naphthaldehyde
CID 735460
(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 118732198
7-[(4-Cyanobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)-one (4m)
CID 105624453
7-{[3-(Trifluoromethyl)benzyl]oxy}-3,4-dihydronaphthalen-1(2H)-one (4n)
CID 118704652
4-{1-Cyano-2-[2-(2-propyn-1-yloxy)-1-naphthyl]vinyl}benzoic acid
CID 2237577
4-(((5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)methyl)benzonitrile
CID 61833721
7-[(3-Cyanobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)-one (4l)
CID 105624344
3-(((5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)methyl)benzonitrile
CID 61834440
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 155563007
(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 155566047
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one
CID 155568632

Frequently Asked Questions

What is the IUPAC name of 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile?
The IUPAC name of 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile (CID 90027990) is 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile.
What is the SMILES notation for 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile?
The canonical SMILES for 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile is N#Cc1c(OC2CCC(C(F)(F)F)CC2)ccc2ccc(C=O)cc12.
What is the InChIKey of 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile?
The InChIKey is ADCWLDJVQOXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)14-4-6-15(7-5-14)25-18-8-3-13-2-1-12(11-24)9-16(13)17(18)10-23/h1-3,8-9,11,14-15H,4-7H2.
What are the key properties of 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile?
7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile has a molecular weight of 347.34 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile is sourced from PubChem (CID 90027990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).