3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde

C13H9F3O2S — CID 122475730

IUPAC3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(OCc2ccsc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2S/c14-13(15,16)11-3-10(6-17)4-12(5-11)18-7-9-1-2-19-8-9/h1-6,8H,7H2
InChIKeyUVVQWYTYUGXQSM-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.16
Rot. Bonds4

About 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde

3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde (PubChem CID 122475730) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
PubChem CID122475730
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(OCc2ccsc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2S/c14-13(15,16)11-3-10(6-17)4-12(5-11)18-7-9-1-2-19-8-9/h1-6,8H,7H2
InChIKeyUVVQWYTYUGXQSM-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.16
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

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 122475998
3-[(2,6-dichlorophenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 122475914
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
3-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethoxy)benzaldehyde
CID 122476736
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476454
3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476289
3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
CID 122476290
3-(4-ethyl-2-methylidenehexoxy)-5-(trifluoromethyl)benzaldehyde
CID 146557286
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde (CID 122475730) is 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(OCc2ccsc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde?
The InChIKey is UVVQWYTYUGXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c14-13(15,16)11-3-10(6-17)4-12(5-11)18-7-9-1-2-19-8-9/h1-6,8H,7H2.
What are the key properties of 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde?
3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde has a molecular weight of 286.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 122475730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).