4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde

C14H6F6O — CID 163411255

IUPAC4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C14H6F6O/c15-10-3-7(6-21)1-2-9(10)8-4-11(16)13(12(17)5-8)14(18,19)20/h1-6H
InChIKeyAARUGTFRQVPGOO-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.60
Rot. Bonds2

About 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde

4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde (PubChem CID 163411255) has the molecular formula C14H6F6O and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
PubChem CID163411255
Molecular FormulaC14H6F6O
Molecular Weight304.19 g/mol
Exact Mass304.03
IUPAC Name4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1
InChIInChI=1S/C14H6F6O/c15-10-3-7(6-21)1-2-9(10)8-4-11(16)13(12(17)5-8)14(18,19)20/h1-6H
InChIKeyAARUGTFRQVPGOO-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]benzaldehyde
CID 86708833
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
3-fluoro-4-(3-fluoro-5-methylphenyl)benzaldehyde
CID 81447027
4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorobenzaldehyde
CID 122500654
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
4-fluoro-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240453
3-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 81447461
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde?
The IUPAC name of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde (CID 163411255) is 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde.
What is the SMILES notation for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde?
The canonical SMILES for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde is O=Cc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1.
What is the InChIKey of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde?
The InChIKey is AARUGTFRQVPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6O/c15-10-3-7(6-21)1-2-9(10)8-4-11(16)13(12(17)5-8)14(18,19)20/h1-6H.
What are the key properties of 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde?
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde has a molecular weight of 304.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde is sourced from PubChem (CID 163411255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).