2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde

C9H7F3O3 — CID 163233297

IUPAC2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(F)cc(C=O)c(F)c1F
InChIInChI=1S/C9H7F3O3/c1-14-4-15-9-6(10)2-5(3-13)7(11)8(9)12/h2-3H,4H2,1H3
InChIKeyKFDAJLZBBSKRBJ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.90
Rot. Bonds4

About 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde

2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde (PubChem CID 163233297) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
PubChem CID163233297
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(F)cc(C=O)c(F)c1F
InChIInChI=1S/C9H7F3O3/c1-14-4-15-9-6(10)2-5(3-13)7(11)8(9)12/h2-3H,4H2,1H3
InChIKeyKFDAJLZBBSKRBJ-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
CID 164892738
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
2,3,4,5-tetrafluorobenzaldehyde
CID 2734023
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde?
The IUPAC name of 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde (CID 163233297) is 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde is COCOc1c(F)cc(C=O)c(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde?
The InChIKey is KFDAJLZBBSKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-14-4-15-9-6(10)2-5(3-13)7(11)8(9)12/h2-3H,4H2,1H3.
What are the key properties of 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde?
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde has a molecular weight of 220.15 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 163233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).