3-(3-fluorothiolan-3-yl)benzaldehyde

C11H11FOS — CID 84723187

IUPAC3-(3-fluorothiolan-3-yl)benzaldehyde
SMILESO=Cc1cccc(C2(F)CCSC2)c1
InChIInChI=1S/C11H11FOS/c12-11(4-5-14-8-11)10-3-1-2-9(6-10)7-13/h1-3,6-7H,4-5,8H2
InChIKeyKFDHVAOKCSNMGC-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.80
Rot. Bonds2

About 3-(3-fluorothiolan-3-yl)benzaldehyde

3-(3-fluorothiolan-3-yl)benzaldehyde (PubChem CID 84723187) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(3-fluorothiolan-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(3-fluorothiolan-3-yl)benzaldehyde
PubChem CID84723187
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name3-(3-fluorothiolan-3-yl)benzaldehyde
SMILESO=Cc1cccc(C2(F)CCSC2)c1
InChIInChI=1S/C11H11FOS/c12-11(4-5-14-8-11)10-3-1-2-9(6-10)7-13/h1-3,6-7H,4-5,8H2
InChIKeyKFDHVAOKCSNMGC-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.80
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 3-(3-fluorothiolan-3-yl)benzaldehyde?
The IUPAC name of 3-(3-fluorothiolan-3-yl)benzaldehyde (CID 84723187) is 3-(3-fluorothiolan-3-yl)benzaldehyde.
What is the SMILES notation for 3-(3-fluorothiolan-3-yl)benzaldehyde?
The canonical SMILES for 3-(3-fluorothiolan-3-yl)benzaldehyde is O=Cc1cccc(C2(F)CCSC2)c1.
What is the InChIKey of 3-(3-fluorothiolan-3-yl)benzaldehyde?
The InChIKey is KFDHVAOKCSNMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c12-11(4-5-14-8-11)10-3-1-2-9(6-10)7-13/h1-3,6-7H,4-5,8H2.
What are the key properties of 3-(3-fluorothiolan-3-yl)benzaldehyde?
3-(3-fluorothiolan-3-yl)benzaldehyde has a molecular weight of 210.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiolan-3-yl)benzaldehyde is sourced from PubChem (CID 84723187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).