2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde

C18H11F3O — CID 175968223

IUPAC2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H11F3O/c19-18(20,21)14-6-3-5-13(10-14)16-9-8-12-4-1-2-7-15(12)17(16)11-22/h1-11H
InChIKeyMYVMMVQRXBKRKB-UHFFFAOYSA-N
MW300.28 g/mol
LogP5.34
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde

2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde (PubChem CID 175968223) has the molecular formula C18H11F3O and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
PubChem CID175968223
Molecular FormulaC18H11F3O
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H11F3O/c19-18(20,21)14-6-3-5-13(10-14)16-9-8-12-4-1-2-7-15(12)17(16)11-22/h1-11H
InChIKeyMYVMMVQRXBKRKB-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.28
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]sulfamoyl]propanamide
CID 141328826
5-amino-2-[(2-fluoronaphthalen-1-yl)methylidene]-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
CID 70441029
1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
CID 118819191
1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene
CID 162548364
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
CID 88871646
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde (CID 175968223) is 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde is O=Cc1c(-c2cccc(C(F)(F)F)c2)ccc2ccccc12.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde?
The InChIKey is MYVMMVQRXBKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O/c19-18(20,21)14-6-3-5-13(10-14)16-9-8-12-4-1-2-7-15(12)17(16)11-22/h1-11H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde?
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde has a molecular weight of 300.28 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 175968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).