3-methoxy-2-(trifluoromethyl)benzaldehyde

C9H7F3O2 — CID 73012639

IUPAC3-methoxy-2-(trifluoromethyl)benzaldehyde
SMILESCOc1cccc(C=O)c1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-13)8(7)9(10,11)12/h2-5H,1H3
InChIKeyHSPNVFXNJYKWSK-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.53
Rot. Bonds2

About 3-methoxy-2-(trifluoromethyl)benzaldehyde

3-methoxy-2-(trifluoromethyl)benzaldehyde (PubChem CID 73012639) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-methoxy-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(trifluoromethyl)benzaldehyde
PubChem CID73012639
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name3-methoxy-2-(trifluoromethyl)benzaldehyde
SMILESCOc1cccc(C=O)c1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-13)8(7)9(10,11)12/h2-5H,1H3
InChIKeyHSPNVFXNJYKWSK-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.53
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-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
CID 87481977
2-hydroxy-3-methoxybenzaldehyde
CID 8991
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-methoxy-2-(trifluoromethyl)benzaldehyde (CID 73012639) is 3-methoxy-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(trifluoromethyl)benzaldehyde is COc1cccc(C=O)c1C(F)(F)F.
What is the InChIKey of 3-methoxy-2-(trifluoromethyl)benzaldehyde?
The InChIKey is HSPNVFXNJYKWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-13)8(7)9(10,11)12/h2-5H,1H3.
What are the key properties of 3-methoxy-2-(trifluoromethyl)benzaldehyde?
3-methoxy-2-(trifluoromethyl)benzaldehyde has a molecular weight of 204.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 73012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).