4-(trifluoromethyl)naphthalene-1-carbaldehyde

C12H7F3O — CID 18537700

IUPAC4-(trifluoromethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c2ccccc12
InChIInChI=1S/C12H7F3O/c13-12(14,15)11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-7H
InChIKeyDIXPWRFFZCPAOH-UHFFFAOYSA-N
MW224.18 g/mol
LogP3.67
Rot. Bonds1

About 4-(trifluoromethyl)naphthalene-1-carbaldehyde

4-(trifluoromethyl)naphthalene-1-carbaldehyde (PubChem CID 18537700) has the molecular formula C12H7F3O and a molecular weight of 224.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)naphthalene-1-carbaldehyde
PubChem CID18537700
Molecular FormulaC12H7F3O
Molecular Weight224.18 g/mol
Exact Mass224.04
IUPAC Name4-(trifluoromethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c2ccccc12
InChIInChI=1S/C12H7F3O/c13-12(14,15)11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-7H
InChIKeyDIXPWRFFZCPAOH-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.67
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

2-methoxy-3,4-bis(trifluoromethyl)benzaldehyde
CID 134640560
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde
CID 84695335
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
2-bromo-3,4-bis(trifluoromethyl)benzaldehyde
CID 134638660
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 146035323
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
CID 54199632
4-benzylsulfanyl-2-(trifluoromethyl)benzaldehyde
CID 79018032
3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164894284
2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)naphthalene-1-carbaldehyde (CID 18537700) is 4-(trifluoromethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)naphthalene-1-carbaldehyde is O=Cc1ccc(C(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(trifluoromethyl)naphthalene-1-carbaldehyde?
The InChIKey is DIXPWRFFZCPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O/c13-12(14,15)11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-7H.
What are the key properties of 4-(trifluoromethyl)naphthalene-1-carbaldehyde?
4-(trifluoromethyl)naphthalene-1-carbaldehyde has a molecular weight of 224.18 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 18537700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).