2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde

C15H10ClF3O2 — CID 86049649

IUPAC2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
SMILESO=CCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c16-14-9-13(5-4-10(14)6-7-20)21-12-3-1-2-11(8-12)15(17,18)19/h1-5,7-9H,6H2
InChIKeyKYZCTJWQMBLQRE-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.89
Rot. Bonds4

About 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde

2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde (PubChem CID 86049649) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
PubChem CID86049649
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
SMILESO=CCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H10ClF3O2/c16-14-9-13(5-4-10(14)6-7-20)21-12-3-1-2-11(8-12)15(17,18)19/h1-5,7-9H,6H2
InChIKeyKYZCTJWQMBLQRE-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.89
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

2-chloro-1-(iodomethyl)-4-[3-(trifluoromethyl)phenoxy]benzene
CID 142698843
4-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-2-methylbutan-2-amine
CID 141197585
2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium
CID 160586100
2-chloro-1-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]benzene
CID 163899955
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
tert-butyl N-[4-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1-hydroxybutan-2-yl]carbamate
CID 162554791
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
5-chloro-2-ethyl-4-[3-(trifluoromethyl)phenoxy]pyrazole-3-carbaldehyde
CID 171832442
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde (CID 86049649) is 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde is O=CCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde?
The InChIKey is KYZCTJWQMBLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-14-9-13(5-4-10(14)6-7-20)21-12-3-1-2-11(8-12)15(17,18)19/h1-5,7-9H,6H2.
What are the key properties of 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde?
2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde has a molecular weight of 314.69 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde is sourced from PubChem (CID 86049649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).