2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol

C18H11ClF3NO — CID 4532078

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H11ClF3NO/c19-16-8-7-13(9-15(16)18(20,21)22)23-10-12-6-5-11-3-1-2-4-14(11)17(12)24/h1-10,24H/b23-10+
InChIKeyPPQOKQGJKDEZAY-AUEPDCJTSA-N
MW349.74 g/mol
LogP5.97
Rot. Bonds2

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol

2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol (PubChem CID 4532078) has the molecular formula C18H11ClF3NO and a molecular weight of 349.74 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
PubChem CID4532078
Molecular FormulaC18H11ClF3NO
Molecular Weight349.74 g/mol
Exact Mass349.05
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H11ClF3NO/c19-16-8-7-13(9-15(16)18(20,21)22)23-10-12-6-5-11-3-1-2-4-14(11)17(12)24/h1-10,24H/b23-10+
InChIKeyPPQOKQGJKDEZAY-AUEPDCJTSA-N
XLogP5.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.74
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol 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

2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
CID 135953557
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 135427639
2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953569
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
CID 4580179
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 135672019
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol (CID 4532078) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol is Oc1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol?
The InChIKey is PPQOKQGJKDEZAY-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H11ClF3NO/c19-16-8-7-13(9-15(16)18(20,21)22)23-10-12-6-5-11-3-1-2-4-14(11)17(12)24/h1-10,24H/b23-10+.
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol?
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol has a molecular weight of 349.74 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 4532078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).