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

C14H7ClF4O — CID 107289689

IUPAC2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H7ClF4O/c15-12-6-9(1-2-10(12)7-20)8-3-4-13(16)11(5-8)14(17,18)19/h1-7H
InChIKeyBAMPZARGDPPCKS-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.98
Rot. Bonds2

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

2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 107289689) has the molecular formula C14H7ClF4O and a molecular weight of 302.65 g/mol. Its IUPAC name is 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID107289689
Molecular FormulaC14H7ClF4O
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Name2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H7ClF4O/c15-12-6-9(1-2-10(12)7-20)8-3-4-13(16)11(5-8)14(17,18)19/h1-7H
InChIKeyBAMPZARGDPPCKS-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-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
CID 58978552
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
CID 115504092
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde
CID 107290408
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
CID 170759596

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde (CID 107289689) is 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is BAMPZARGDPPCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O/c15-12-6-9(1-2-10(12)7-20)8-3-4-13(16)11(5-8)14(17,18)19/h1-7H.
What are the key properties of 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde?
2-chloro-4-[4-fluoro-3-(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 2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 107289689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).