2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde

C15H10F4O — CID 107289665

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C15H10F4O/c1-9-2-3-11(8-20)12(6-9)10-4-5-13(14(16)7-10)15(17,18)19/h2-8H,1H3
InChIKeyHLPLYDRRHWJBTJ-UHFFFAOYSA-N
MW282.24 g/mol
LogP4.63
Rot. Bonds2

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde

2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde (PubChem CID 107289665) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
PubChem CID107289665
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C15H10F4O/c1-9-2-3-11(8-20)12(6-9)10-4-5-13(14(16)7-10)15(17,18)19/h2-8H,1H3
InChIKeyHLPLYDRRHWJBTJ-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.63
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

4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
CID 143801247
2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]-4-methylbenzene
CID 143726949
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde (CID 107289665) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde is Cc1ccc(C=O)c(-c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde?
The InChIKey is HLPLYDRRHWJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O/c1-9-2-3-11(8-20)12(6-9)10-4-5-13(14(16)7-10)15(17,18)19/h2-8H,1H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde has a molecular weight of 282.24 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde is sourced from PubChem (CID 107289665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).