(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol

C8H8F4OS — CID 70413988

IUPAC(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
SMILESCSC1(F)C(F)=CC(F)=C(F)C1CO
InChIInChI=1S/C8H8F4OS/c1-14-8(12)4(3-13)7(11)5(9)2-6(8)10/h2,4,13H,3H2,1H3
InChIKeyXLHCAPXSFZWRJK-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.64
Rot. Bonds2

About (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol

(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 70413988) has the molecular formula C8H8F4OS and a molecular weight of 228.21 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID70413988
Molecular FormulaC8H8F4OS
Molecular Weight228.21 g/mol
Exact Mass228.02
IUPAC Name(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
SMILESCSC1(F)C(F)=CC(F)=C(F)C1CO
InChIInChI=1S/C8H8F4OS/c1-14-8(12)4(3-13)7(11)5(9)2-6(8)10/h2,4,13H,3H2,1H3
InChIKeyXLHCAPXSFZWRJK-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol (CID 70413988) is (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol is CSC1(F)C(F)=CC(F)=C(F)C1CO.
What is the InChIKey of (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is XLHCAPXSFZWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4OS/c1-14-8(12)4(3-13)7(11)5(9)2-6(8)10/h2,4,13H,3H2,1H3.
What are the key properties of (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol?
(2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 228.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 70413988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).