(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide

C12H23FO2S — CID 176600033

IUPAC(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
SMILESCC(C)C1C(C(C)C)S(=O)(=O)C(C)(C)[C@@H]1F
InChIInChI=1S/C12H23FO2S/c1-7(2)9-10(8(3)4)16(14,15)12(5,6)11(9)13/h7-11H,1-6H3/t9?,10?,11-/m1/s1
InChIKeyDELGTLZBSHUJTB-VQXHTEKXSA-N
MW250.38 g/mol
LogP2.83
Rot. Bonds2

About (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide

(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide (PubChem CID 176600033) has the molecular formula C12H23FO2S and a molecular weight of 250.38 g/mol. Its IUPAC name is (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
PubChem CID176600033
Molecular FormulaC12H23FO2S
Molecular Weight250.38 g/mol
Exact Mass250.14
IUPAC Name(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide
SMILESCC(C)C1C(C(C)C)S(=O)(=O)C(C)(C)[C@@H]1F
InChIInChI=1S/C12H23FO2S/c1-7(2)9-10(8(3)4)16(14,15)12(5,6)11(9)13/h7-11H,1-6H3/t9?,10?,11-/m1/s1
InChIKeyDELGTLZBSHUJTB-VQXHTEKXSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide (CID 176600033) is (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide is CC(C)C1C(C(C)C)S(=O)(=O)C(C)(C)[C@@H]1F.
What is the InChIKey of (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide?
The InChIKey is DELGTLZBSHUJTB-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H23FO2S/c1-7(2)9-10(8(3)4)16(14,15)12(5,6)11(9)13/h7-11H,1-6H3/t9?,10?,11-/m1/s1.
What are the key properties of (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide?
(3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide has a molecular weight of 250.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-2,2-dimethyl-4,5-di(propan-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 176600033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).