5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde

C9H6F4O2 — CID 131331528

IUPAC5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
SMILESCOc1cc(C(F)(F)F)c(C=O)cc1F
InChIInChI=1S/C9H6F4O2/c1-15-8-3-6(9(11,12)13)5(4-14)2-7(8)10/h2-4H,1H3
InChIKeyMOJRBYUGLBYQFK-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.67
Rot. Bonds2

About 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde

5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde (PubChem CID 131331528) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
PubChem CID131331528
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
SMILESCOc1cc(C(F)(F)F)c(C=O)cc1F
InChIInChI=1S/C9H6F4O2/c1-15-8-3-6(9(11,12)13)5(4-14)2-7(8)10/h2-4H,1H3
InChIKeyMOJRBYUGLBYQFK-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.67
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

4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
CID 166904905
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
5-ethoxy-2-methoxy-4-(trifluoromethyl)benzaldehyde
CID 171417410
2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171023863
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)benzaldehyde
CID 10870668
2-[4-formyl-5-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 171024772
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde (CID 131331528) is 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde is COc1cc(C(F)(F)F)c(C=O)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde?
The InChIKey is MOJRBYUGLBYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c1-15-8-3-6(9(11,12)13)5(4-14)2-7(8)10/h2-4H,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde?
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde has a molecular weight of 222.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 131331528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).