3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde

C15H9BrF4O2 — CID 122476289

IUPAC3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)cc(OCc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C15H9BrF4O2/c16-12-3-9(7-21)4-13(6-12)22-8-10-5-11(15(18,19)20)1-2-14(10)17/h1-7H,8H2
InChIKeyVFZNATLQHKEXCU-UHFFFAOYSA-N
MW377.13 g/mol
LogP5.00
Rot. Bonds4

About 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde

3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 122476289) has the molecular formula C15H9BrF4O2 and a molecular weight of 377.13 g/mol. Its IUPAC name is 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID122476289
Molecular FormulaC15H9BrF4O2
Molecular Weight377.13 g/mol
Exact Mass375.97
IUPAC Name3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)cc(OCc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C15H9BrF4O2/c16-12-3-9(7-21)4-13(6-12)22-8-10-5-11(15(18,19)20)1-2-14(10)17/h1-7H,8H2
InChIKeyVFZNATLQHKEXCU-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 55.00
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-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethoxy)benzaldehyde
CID 122476736
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 121424163
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476454
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 122475998
3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
CID 122475730
3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 122475914
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 842707

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 122476289) is 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1cc(Br)cc(OCc2cc(C(F)(F)F)ccc2F)c1.
What is the InChIKey of 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is VFZNATLQHKEXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4O2/c16-12-3-9(7-21)4-13(6-12)22-8-10-5-11(15(18,19)20)1-2-14(10)17/h1-7H,8H2.
What are the key properties of 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 377.13 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 122476289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).