4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde

C18H11F3O2 — CID 171127397

IUPAC4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C18H11F3O2/c19-18(20,21)23-14-8-5-12(6-9-14)16-10-7-13(11-22)15-3-1-2-4-17(15)16/h1-11H
InChIKeyMZYMVDXZQXWBHS-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.22
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde

4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde (PubChem CID 171127397) has the molecular formula C18H11F3O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
PubChem CID171127397
Molecular FormulaC18H11F3O2
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C18H11F3O2/c19-18(20,21)23-14-8-5-12(6-9-14)16-10-7-13(11-22)15-3-1-2-4-17(15)16/h1-11H
InChIKeyMZYMVDXZQXWBHS-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
CID 118807088
2-fluoro-3-(trifluoromethoxy)terephthalaldehyde
CID 171010447
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde (CID 171127397) is 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde is O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde?
The InChIKey is MZYMVDXZQXWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O2/c19-18(20,21)23-14-8-5-12(6-9-14)16-10-7-13(11-22)15-3-1-2-4-17(15)16/h1-11H.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde?
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde has a molecular weight of 316.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 171127397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).