1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane

C12H20F2OS — CID 66796482

IUPAC1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane
SMILESO=S(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H20F2OS/c13-9-3-1-5-11(7-9)16(15)12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyBJCQOEPLUHETCB-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.30
Rot. Bonds2

About 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane

1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane (PubChem CID 66796482) has the molecular formula C12H20F2OS and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane.

Molecular Properties

Compound Name1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane
PubChem CID66796482
Molecular FormulaC12H20F2OS
Molecular Weight250.35 g/mol
Exact Mass250.12
IUPAC Name1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane
SMILESO=S(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H20F2OS/c13-9-3-1-5-11(7-9)16(15)12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyBJCQOEPLUHETCB-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane?
The IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane (CID 66796482) is 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane.
What is the SMILES notation for 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane?
The canonical SMILES for 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane is O=S(C1CCCC(F)C1)C1CCCC(F)C1.
What is the InChIKey of 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane?
The InChIKey is BJCQOEPLUHETCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2OS/c13-9-3-1-5-11(7-9)16(15)12-6-2-4-10(14)8-12/h9-12H,1-8H2.
What are the key properties of 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane?
1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane has a molecular weight of 250.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane is sourced from PubChem (CID 66796482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).