4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde

C14H7ClF4O — CID 107289657

IUPAC4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H7ClF4O/c15-10-3-1-9(7-20)11(6-10)8-2-4-12(13(16)5-8)14(17,18)19/h1-7H
InChIKeyPZDLJIINKCKJCF-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.98
Rot. Bonds2

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

4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 107289657) has the molecular formula C14H7ClF4O and a molecular weight of 302.65 g/mol. Its IUPAC name is 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID107289657
Molecular FormulaC14H7ClF4O
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Name4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H7ClF4O/c15-10-3-1-9(7-20)11(6-10)8-2-4-12(13(16)5-8)14(17,18)19/h1-7H
InChIKeyPZDLJIINKCKJCF-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 54.98
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

2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
4-chloro-2-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755539
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde (CID 107289657) is 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(Cl)cc1-c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is PZDLJIINKCKJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O/c15-10-3-1-9(7-20)11(6-10)8-2-4-12(13(16)5-8)14(17,18)19/h1-7H.
What are the key properties of 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde?
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 302.65 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 107289657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).