(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane

C8H14F4O3S — CID 66796480

IUPAC(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
SMILESO=S(O)(O)(CC(F)(F)F)C1CCCC(F)C1
InChIInChI=1S/C8H14F4O3S/c9-6-2-1-3-7(4-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyZTXBHRWVYNLKCU-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.60
Rot. Bonds2

About (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane

(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (PubChem CID 66796480) has the molecular formula C8H14F4O3S and a molecular weight of 266.26 g/mol. Its IUPAC name is (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.

Molecular Properties

Compound Name(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
PubChem CID66796480
Molecular FormulaC8H14F4O3S
Molecular Weight266.26 g/mol
Exact Mass266.06
IUPAC Name(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
SMILESO=S(O)(O)(CC(F)(F)F)C1CCCC(F)C1
InChIInChI=1S/C8H14F4O3S/c9-6-2-1-3-7(4-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyZTXBHRWVYNLKCU-UHFFFAOYSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The IUPAC name of (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (CID 66796480) is (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.
What is the SMILES notation for (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The canonical SMILES for (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is O=S(O)(O)(CC(F)(F)F)C1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The InChIKey is ZTXBHRWVYNLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O3S/c9-6-2-1-3-7(4-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15).
What are the key properties of (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
(3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane has a molecular weight of 266.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is sourced from PubChem (CID 66796480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).