1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane

C12H20F2S — CID 66729805

IUPAC1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane
SMILESFC1CCCC(SC2CCCC(F)C2)C1
InChIInChI=1S/C12H20F2S/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyQOFZJHWFOZKSIA-UHFFFAOYSA-N
MW234.35 g/mol
LogP4.28
Rot. Bonds2

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

1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane (PubChem CID 66729805) has the molecular formula C12H20F2S and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane.

Molecular Properties

Compound Name1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane
PubChem CID66729805
Molecular FormulaC12H20F2S
Molecular Weight234.35 g/mol
Exact Mass234.13
IUPAC Name1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane
SMILESFC1CCCC(SC2CCCC(F)C2)C1
InChIInChI=1S/C12H20F2S/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyQOFZJHWFOZKSIA-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-Thiobis(cyclohexane)
CID 23523
1-Fluoro-2-(2-fluorocyclohexyl)sulfanylcyclohexane
CID 13816042
1-Fluoro-4-(4-fluorocyclohexyl)sulfanylcyclohexane
CID 66729757
1-Fluoro-2-(2-fluorocyclohexyl)sulfinylcyclohexane
CID 66796402
1-Fluoro-3-(3-fluorocyclohexyl)sulfinylcyclohexane
CID 66796482
1-Fluoro-4-(4-fluorocyclohexyl)sulfinylcyclohexane
CID 66797095
2,2-Difluoroethylsulfanylcyclohexane
CID 130634640
2,2,2-Trifluoroethylsulfanylcyclohexane
CID 130693183
Dicyclohexyl(trifluoromethyl)sulfanium
CID 140480113
Tris(4-fluorocyclohexyl)sulfanium
CID 140547899
Tris(3-fluorocyclohexyl)sulfanium
CID 140547909
1-Fluoro-4-pentylsulfanylcyclohexane
CID 141873600

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane?
The IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane (CID 66729805) is 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane.
What is the SMILES notation for 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane?
The canonical SMILES for 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane is FC1CCCC(SC2CCCC(F)C2)C1.
What is the InChIKey of 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane?
The InChIKey is QOFZJHWFOZKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2S/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-12H,1-8H2.
What are the key properties of 1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane?
1-fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane has a molecular weight of 234.35 g/mol, XLogP of 4.28, 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)sulfanylcyclohexane is sourced from PubChem (CID 66729805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).