(2S,4R)-2-cyclohexyl-4-fluorothiane

C11H19FS — CID 25058583

IUPAC(2S,4R)-2-cyclohexyl-4-fluorothiane
SMILESF[C@@H]1CCS[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H19FS/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1
InChIKeyINDCFPPDVRCUNA-MNOVXSKESA-N
MW202.34 g/mol
LogP3.80
Rot. Bonds1

About (2S,4R)-2-cyclohexyl-4-fluorothiane

(2S,4R)-2-cyclohexyl-4-fluorothiane (PubChem CID 25058583) has the molecular formula C11H19FS and a molecular weight of 202.34 g/mol. Its IUPAC name is (2S,4R)-2-cyclohexyl-4-fluorothiane.

Molecular Properties

Compound Name(2S,4R)-2-cyclohexyl-4-fluorothiane
PubChem CID25058583
Molecular FormulaC11H19FS
Molecular Weight202.34 g/mol
Exact Mass202.12
IUPAC Name(2S,4R)-2-cyclohexyl-4-fluorothiane
SMILESF[C@@H]1CCS[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H19FS/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1
InChIKeyINDCFPPDVRCUNA-MNOVXSKESA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-cyclohexyl-4-fluorothiane?
The IUPAC name of (2S,4R)-2-cyclohexyl-4-fluorothiane (CID 25058583) is (2S,4R)-2-cyclohexyl-4-fluorothiane.
What is the SMILES notation for (2S,4R)-2-cyclohexyl-4-fluorothiane?
The canonical SMILES for (2S,4R)-2-cyclohexyl-4-fluorothiane is F[C@@H]1CCS[C@H](C2CCCCC2)C1.
What is the InChIKey of (2S,4R)-2-cyclohexyl-4-fluorothiane?
The InChIKey is INDCFPPDVRCUNA-MNOVXSKESA-N. The full InChI is InChI=1S/C11H19FS/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h9-11H,1-8H2/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-2-cyclohexyl-4-fluorothiane?
(2S,4R)-2-cyclohexyl-4-fluorothiane has a molecular weight of 202.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-cyclohexyl-4-fluorothiane is sourced from PubChem (CID 25058583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).