4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde

C14H8F4O2 — CID 103694064

IUPAC4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O2/c15-11-5-4-10(8-19)13(7-11)9-2-1-3-12(6-9)20-14(16,17)18/h1-8H
InChIKeyIVUKZJFUGKJOMA-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.20
Rot. Bonds3

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

4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 103694064) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID103694064
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O2/c15-11-5-4-10(8-19)13(7-11)9-2-1-3-12(6-9)20-14(16,17)18/h1-8H
InChIKeyIVUKZJFUGKJOMA-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.20
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

5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118799410
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 170944057
6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 87405373
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde (CID 103694064) is 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde is O=Cc1ccc(F)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is IVUKZJFUGKJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-11-5-4-10(8-19)13(7-11)9-2-1-3-12(6-9)20-14(16,17)18/h1-8H.
What are the key properties of 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde?
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 284.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 103694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).