2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde

C14H7F5O2 — CID 175684292

IUPAC2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1c(F)cc(-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H7F5O2/c15-12-5-9(6-13(16)11(12)7-20)8-1-3-10(4-2-8)21-14(17,18)19/h1-7H
InChIKeyMAXNJIXWEPYYDQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.34
Rot. Bonds3

About 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde

2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 175684292) has the molecular formula C14H7F5O2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID175684292
Molecular FormulaC14H7F5O2
Molecular Weight302.20 g/mol
Exact Mass302.04
IUPAC Name2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1c(F)cc(-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H7F5O2/c15-12-5-9(6-13(16)11(12)7-20)8-1-3-10(4-2-8)21-14(17,18)19/h1-7H
InChIKeyMAXNJIXWEPYYDQ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.34
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

1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde
CID 118991858
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde (CID 175684292) is 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde is O=Cc1c(F)cc(-c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is MAXNJIXWEPYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O2/c15-12-5-9(6-13(16)11(12)7-20)8-1-3-10(4-2-8)21-14(17,18)19/h1-7H.
What are the key properties of 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde?
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 302.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 175684292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).