2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde

C15H10F4O2 — CID 146034992

IUPAC2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)cc(OCc2ccccc2)c1F
InChIInChI=1S/C15H10F4O2/c16-14-11(8-20)6-12(15(17,18)19)7-13(14)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDJVUWNLDWYXULL-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.24
Rot. Bonds4

About 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde

2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde (PubChem CID 146034992) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
PubChem CID146034992
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)cc(OCc2ccccc2)c1F
InChIInChI=1S/C15H10F4O2/c16-14-11(8-20)6-12(15(17,18)19)7-13(14)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDJVUWNLDWYXULL-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.24
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

4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
CID 58062859
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
CID 86668560
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde
CID 22987158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde (CID 146034992) is 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)cc(OCc2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde?
The InChIKey is DJVUWNLDWYXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c16-14-11(8-20)6-12(15(17,18)19)7-13(14)21-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde?
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde has a molecular weight of 298.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 146034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).