(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone

C12H13FO2S — CID 105125105

IUPAC(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCSC1
InChIInChI=1S/C12H13FO2S/c1-15-11-3-2-9(13)6-10(11)12(14)8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyHIRZZPIMJBXXPD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.77
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone

(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone (PubChem CID 105125105) has the molecular formula C12H13FO2S and a molecular weight of 240.30 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
PubChem CID105125105
Molecular FormulaC12H13FO2S
Molecular Weight240.30 g/mol
Exact Mass240.06
IUPAC Name(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCSC1
InChIInChI=1S/C12H13FO2S/c1-15-11-3-2-9(13)6-10(11)12(14)8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3
InChIKeyHIRZZPIMJBXXPD-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
CID 105483112
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
(5-fluoro-2-methoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947309
thiolan-3-yl-(2,3,4-trifluorophenyl)methanone
CID 115824372
(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
CID 114286702
thiolan-3-yl-(2,4,6-trifluorophenyl)methanone
CID 65098564
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone (CID 105125105) is (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone is COc1ccc(F)cc1C(=O)C1CCSC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone?
The InChIKey is HIRZZPIMJBXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2S/c1-15-11-3-2-9(13)6-10(11)12(14)8-4-5-16-7-8/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone has a molecular weight of 240.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 105125105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).