2-(3-fluorophenyl)-1,3-dithiane

C10H11FS2 — CID 71345753

IUPAC2-(3-fluorophenyl)-1,3-dithiane
SMILESFc1cccc(C2SCCCS2)c1
InChIInChI=1S/C10H11FS2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyFFQFYDRRUQYEKL-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-fluorophenyl)-1,3-dithiane

2-(3-fluorophenyl)-1,3-dithiane (PubChem CID 71345753) has the molecular formula C10H11FS2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3-dithiane
PubChem CID71345753
Molecular FormulaC10H11FS2
Molecular Weight214.33 g/mol
Exact Mass214.03
IUPAC Name2-(3-fluorophenyl)-1,3-dithiane
SMILESFc1cccc(C2SCCCS2)c1
InChIInChI=1S/C10H11FS2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyFFQFYDRRUQYEKL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210
2-[3-(methoxymethyl)phenyl]-1,3-dithiane
CID 121001327
2-[(3-fluorophenyl)methyl]-1,3-dithiane
CID 19793236
2-phenyl-1,3-dithiocane
CID 100958713
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926
2-(4-phenylphenyl)-1,3-dithiane
CID 15040193
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78875031
3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 46576054
2-[3-(1,3-dithian-2-yl)-5-methylphenyl]-1,3-dithiane
CID 10592414
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1,3-dithiane?
The IUPAC name of 2-(3-fluorophenyl)-1,3-dithiane (CID 71345753) is 2-(3-fluorophenyl)-1,3-dithiane.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3-dithiane?
The canonical SMILES for 2-(3-fluorophenyl)-1,3-dithiane is Fc1cccc(C2SCCCS2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3-dithiane?
The InChIKey is FFQFYDRRUQYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 2-(3-fluorophenyl)-1,3-dithiane?
2-(3-fluorophenyl)-1,3-dithiane has a molecular weight of 214.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,3-dithiane is sourced from PubChem (CID 71345753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).