2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde

C14H8F4O3 — CID 58007717

IUPAC2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H8F4O3/c15-13-7-12(2-1-9(13)8-19)20-10-3-5-11(6-4-10)21-14(16,17)18/h1-8H
InChIKeyHVBOAEDRZXONJK-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.33
Rot. Bonds4

About 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde

2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde (PubChem CID 58007717) has the molecular formula C14H8F4O3 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
PubChem CID58007717
Molecular FormulaC14H8F4O3
Molecular Weight300.21 g/mol
Exact Mass300.04
IUPAC Name2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H8F4O3/c15-13-7-12(2-1-9(13)8-19)20-10-3-5-11(6-4-10)21-14(16,17)18/h1-8H
InChIKeyHVBOAEDRZXONJK-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 145469155
CID 145469155
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
CID 22283553
CID 89165379
CID 89165379
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-fluoro-4-[5-[1-[4-(trifluoromethoxy)phenoxy]ethyl]-1,2-thiazol-3-yl]benzaldehyde
CID 144956625
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)anilino]benzaldehyde
CID 58008239
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
CID 170477398

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde?
The IUPAC name of 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde (CID 58007717) is 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde is O=Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde?
The InChIKey is HVBOAEDRZXONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3/c15-13-7-12(2-1-9(13)8-19)20-10-3-5-11(6-4-10)21-14(16,17)18/h1-8H.
What are the key properties of 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde?
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde has a molecular weight of 300.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde is sourced from PubChem (CID 58007717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).