4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde

C10H7F5O3 — CID 19705430

IUPAC4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12)18-7-2-1-6(4-16)3-8(7)17-5-10(13,14)15/h1-4,9H,5H2
InChIKeyHNBFKIZYKBBZMG-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.04
Rot. Bonds5

About 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde

4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde (PubChem CID 19705430) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
PubChem CID19705430
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12)18-7-2-1-6(4-16)3-8(7)17-5-10(13,14)15/h1-4,9H,5H2
InChIKeyHNBFKIZYKBBZMG-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
CID 122475460
3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 78996104
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(difluoromethoxy)benzaldehyde
CID 156782361
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-(2,2,2-trifluoroethoxy)-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650719
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The IUPAC name of 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde (CID 19705430) is 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde is O=Cc1ccc(OC(F)F)c(OCC(F)(F)F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The InChIKey is HNBFKIZYKBBZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c11-9(12)18-7-2-1-6(4-16)3-8(7)17-5-10(13,14)15/h1-4,9H,5H2.
What are the key properties of 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde?
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde has a molecular weight of 270.15 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde is sourced from PubChem (CID 19705430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).