2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane

C13H23FS2 — CID 18344142

IUPAC2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane
SMILESCC1CCC(C2CSC(CCF)SC2)CC1
InChIInChI=1S/C13H23FS2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3
InChIKeyDDWRZTXYIULYKG-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane

2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane (PubChem CID 18344142) has the molecular formula C13H23FS2 and a molecular weight of 262.46 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane
PubChem CID18344142
Molecular FormulaC13H23FS2
Molecular Weight262.46 g/mol
Exact Mass262.12
IUPAC Name2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane
SMILESCC1CCC(C2CSC(CCF)SC2)CC1
InChIInChI=1S/C13H23FS2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3
InChIKeyDDWRZTXYIULYKG-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane?
The IUPAC name of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane (CID 18344142) is 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane?
The canonical SMILES for 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane is CC1CCC(C2CSC(CCF)SC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane?
The InChIKey is DDWRZTXYIULYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FS2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane?
2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane has a molecular weight of 262.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane is sourced from PubChem (CID 18344142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).