[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

C15H16F2O3S — CID 171940404

IUPAC[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)C1CC2CCC(C1)S2=O
InChIInChI=1S/C15H16F2O3S/c16-15(17)20-11-3-1-9(2-4-11)14(18)10-7-12-5-6-13(8-10)21(12)19/h1-4,10,12-13,15H,5-8H2
InChIKeyIGFOZDWYOIZQTB-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.16
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171940404) has the molecular formula C15H16F2O3S and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171940404
Molecular FormulaC15H16F2O3S
Molecular Weight314.35 g/mol
Exact Mass314.08
IUPAC Name[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)C1CC2CCC(C1)S2=O
InChIInChI=1S/C15H16F2O3S/c16-15(17)20-11-3-1-9(2-4-11)14(18)10-7-12-5-6-13(8-10)21(12)19/h1-4,10,12-13,15H,5-8H2
InChIKeyIGFOZDWYOIZQTB-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
(4-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171946940
[4-(difluoromethyl)phenyl]-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947685
[4-(difluoromethoxy)phenyl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171940416
(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)-(4-phenylphenyl)methanone
CID 171943287
5-(8-oxo-8λ4-thiabicyclo[3.2.1]octane-3-carbonyl)pyridine-2-carbonitrile
CID 171944124
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
(3-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947013
tert-butyl 7-[4-(difluoromethoxy)benzoyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940419
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171940404) is [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccc(OC(F)F)cc1)C1CC2CCC(C1)S2=O.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is IGFOZDWYOIZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O3S/c16-15(17)20-11-3-1-9(2-4-11)14(18)10-7-12-5-6-13(8-10)21(12)19/h1-4,10,12-13,15H,5-8H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171940404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).