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

C8H14F4O3S — CID 66796050

IUPAC(4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
SMILESO=S(O)(O)(CC(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C8H14F4O3S/c9-6-1-3-7(4-2-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyLNSAQGIGGYPXHE-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.60
Rot. Bonds2

About (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane

(4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (PubChem CID 66796050) has the molecular formula C8H14F4O3S and a molecular weight of 266.26 g/mol. Its IUPAC name is (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.

Molecular Properties

Compound Name(4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
PubChem CID66796050
Molecular FormulaC8H14F4O3S
Molecular Weight266.26 g/mol
Exact Mass266.06
IUPAC Name(4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
SMILESO=S(O)(O)(CC(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C8H14F4O3S/c9-6-1-3-7(4-2-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyLNSAQGIGGYPXHE-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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Related Compounds

2-(1,1-Difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
CID 58225678
1,1-Difluoroethylsulfonylcyclohexane
CID 58225694
Bis(3-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796001
1-Fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane
CID 66796064
Bis(2-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796066
(2-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796121
1-Fluoro-4-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796189
Ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796290
1-Fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796303
Ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796454
(3-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796480
1-Fluoro-3-(2,2,2-trifluoroethylsulfinyl)cyclohexane
CID 66797007

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The IUPAC name of (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (CID 66796050) is (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.
What is the SMILES notation for (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The canonical SMILES for (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is O=S(O)(O)(CC(F)(F)F)C1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
The InChIKey is LNSAQGIGGYPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O3S/c9-6-1-3-7(4-2-6)16(13,14,15)5-8(10,11)12/h6-7H,1-5H2,(H2,13,14,15).
What are the key properties of (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?
(4-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 (4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is sourced from PubChem (CID 66796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).