3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde

C14H9F3O2 — CID 122476157

IUPAC3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
SMILESO=Cc1cccc(COc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H9F3O2/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-2-9(4-10)7-18/h1-7H,8H2
InChIKeyYBHCLXIIEKEWMZ-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.50
Rot. Bonds4

About 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde

3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde (PubChem CID 122476157) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
PubChem CID122476157
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
SMILESO=Cc1cccc(COc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H9F3O2/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-2-9(4-10)7-18/h1-7H,8H2
InChIKeyYBHCLXIIEKEWMZ-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.50
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

3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
(E)-3-[3-[(2,6-difluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 81265052
3-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]benzaldehyde
CID 58293982
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
CID 79891546
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
3-(2-oxoethyl)benzaldehyde
CID 54321672

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde?
The IUPAC name of 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde (CID 122476157) is 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde.
What is the SMILES notation for 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde?
The canonical SMILES for 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde is O=Cc1cccc(COc2c(F)cc(F)cc2F)c1.
What is the InChIKey of 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde?
The InChIKey is YBHCLXIIEKEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-2-9(4-10)7-18/h1-7H,8H2.
What are the key properties of 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde?
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde is sourced from PubChem (CID 122476157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).