(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane

C16H21FOS — CID 10802722

IUPAC(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane
SMILESCC1(C)[C@@H]2CC[C@]13CS(F)(c1ccccc1)O[C@@H]3C2
InChIInChI=1S/C16H21FOS/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyMFWLFPOTBSGSCH-XNRPHZJLSA-N
MW280.41 g/mol
LogP4.87
Rot. Bonds1

About (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane

(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane (PubChem CID 10802722) has the molecular formula C16H21FOS and a molecular weight of 280.41 g/mol. Its IUPAC name is (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane
PubChem CID10802722
Molecular FormulaC16H21FOS
Molecular Weight280.41 g/mol
Exact Mass280.13
IUPAC Name(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane
SMILESCC1(C)[C@@H]2CC[C@]13CS(F)(c1ccccc1)O[C@@H]3C2
InChIInChI=1S/C16H21FOS/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyMFWLFPOTBSGSCH-XNRPHZJLSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane?
The IUPAC name of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane (CID 10802722) is (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane.
What is the SMILES notation for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane?
The canonical SMILES for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane is CC1(C)[C@@H]2CC[C@]13CS(F)(c1ccccc1)O[C@@H]3C2.
What is the InChIKey of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane?
The InChIKey is MFWLFPOTBSGSCH-XNRPHZJLSA-N. The full InChI is InChI=1S/C16H21FOS/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14-,16-/m1/s1.
What are the key properties of (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane?
(1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane has a molecular weight of 280.41 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-3-fluoro-10,10-dimethyl-3-phenyl-4-oxa-3λ4-thiatricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 10802722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).