3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde

C10H8ClF3O3 — CID 164894284

IUPAC3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCOCOc1c(C=O)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H8ClF3O3/c1-16-5-17-9-6(4-15)2-3-7(8(9)11)10(12,13)14/h2-4H,5H2,1H3
InChIKeyZGLDWVVRXMTFMT-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.15
Rot. Bonds4

About 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde

3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde (PubChem CID 164894284) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
PubChem CID164894284
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCOCOc1c(C=O)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H8ClF3O3/c1-16-5-17-9-6(4-15)2-3-7(8(9)11)10(12,13)14/h2-4H,5H2,1H3
InChIKeyZGLDWVVRXMTFMT-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663
2-methoxy-3,4-bis(trifluoromethyl)benzaldehyde
CID 134640560
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
3-acetyl-2-ethoxy-4-(trifluoromethyl)benzaldehyde
CID 171022119
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
CID 164896154
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde (CID 164894284) is 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde is COCOc1c(C=O)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The InChIKey is ZGLDWVVRXMTFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-16-5-17-9-6(4-15)2-3-7(8(9)11)10(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde has a molecular weight of 268.62 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 164894284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).