3-(4-fluorophenyl)-4-methylthiolane

C11H13FS — CID 134946475

IUPAC3-(4-fluorophenyl)-4-methylthiolane
SMILESCC1CSCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FS/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyUPFJTLXXIDPUFI-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.29
Rot. Bonds1

About 3-(4-fluorophenyl)-4-methylthiolane

3-(4-fluorophenyl)-4-methylthiolane (PubChem CID 134946475) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methylthiolane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methylthiolane
PubChem CID134946475
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name3-(4-fluorophenyl)-4-methylthiolane
SMILESCC1CSCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FS/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyUPFJTLXXIDPUFI-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
CID 58601309
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
2-(4-fluorophenyl)-3-methylazetidine
CID 66350538
(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 42018488
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
CID 102548747
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene
CID 132609166
cis-(5S,6R)-5,6-bis(4-fluorophenyl)cycloheptane-1,3-dione
CID 102257485

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methylthiolane?
The IUPAC name of 3-(4-fluorophenyl)-4-methylthiolane (CID 134946475) is 3-(4-fluorophenyl)-4-methylthiolane.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methylthiolane?
The canonical SMILES for 3-(4-fluorophenyl)-4-methylthiolane is CC1CSCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methylthiolane?
The InChIKey is UPFJTLXXIDPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methylthiolane?
3-(4-fluorophenyl)-4-methylthiolane has a molecular weight of 196.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methylthiolane is sourced from PubChem (CID 134946475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).