2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde

C14H8F4OS — CID 12815915

IUPAC2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1Sc1ccccc1F
InChIInChI=1S/C14H8F4OS/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-8H
InChIKeyXTWXMFATWUVSAX-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.81
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde

2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde (PubChem CID 12815915) has the molecular formula C14H8F4OS and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde
PubChem CID12815915
Molecular FormulaC14H8F4OS
Molecular Weight300.28 g/mol
Exact Mass300.02
IUPAC Name2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1Sc1ccccc1F
InChIInChI=1S/C14H8F4OS/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-8H
InChIKeyXTWXMFATWUVSAX-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde (CID 12815915) is 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)ccc1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde?
The InChIKey is XTWXMFATWUVSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4OS/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-8H.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde?
2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde has a molecular weight of 300.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 12815915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).