4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde

C9H5F5O2 — CID 63320783

IUPAC4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F5O2/c10-8(11)16-7-2-1-5(4-15)3-6(7)9(12,13)14/h1-4,8H
InChIKeyMAEZKIVVSZKHTO-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.12
Rot. Bonds3

About 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde

4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde (PubChem CID 63320783) has the molecular formula C9H5F5O2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
PubChem CID63320783
Molecular FormulaC9H5F5O2
Molecular Weight240.13 g/mol
Exact Mass240.02
IUPAC Name4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F5O2/c10-8(11)16-7-2-1-5(4-15)3-6(7)9(12,13)14/h1-4,8H
InChIKeyMAEZKIVVSZKHTO-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.12
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-[4-formyl-2-(trifluoromethyl)phenoxy]propanenitrile
CID 63320695
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
4-(difluoromethoxy)-5-(trifluoromethyl)phthalaldehyde
CID 171026121
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533143
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(difluoromethoxy)benzaldehyde
CID 156782361
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde (CID 63320783) is 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde is O=Cc1ccc(OC(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde?
The InChIKey is MAEZKIVVSZKHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O2/c10-8(11)16-7-2-1-5(4-15)3-6(7)9(12,13)14/h1-4,8H.
What are the key properties of 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde?
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde has a molecular weight of 240.13 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 63320783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).