(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol

C8H8F4O — CID 118873767

IUPAC(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol
SMILESCCC1=C(F)C(F)=C(F)[C@@H](F)C1O
InChIInChI=1S/C8H8F4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h7-8,13H,2H2,1H3/t7-,8?/m1/s1
InChIKeyXSRDFACAXOSWBO-GVHYBUMESA-N
MW196.14 g/mol
LogP2.48
Rot. Bonds1

About (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol

(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol (PubChem CID 118873767) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol
PubChem CID118873767
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol
SMILESCCC1=C(F)C(F)=C(F)[C@@H](F)C1O
InChIInChI=1S/C8H8F4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h7-8,13H,2H2,1H3/t7-,8?/m1/s1
InChIKeyXSRDFACAXOSWBO-GVHYBUMESA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol (CID 118873767) is (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol is CCC1=C(F)C(F)=C(F)[C@@H](F)C1O.
What is the InChIKey of (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol?
The InChIKey is XSRDFACAXOSWBO-GVHYBUMESA-N. The full InChI is InChI=1S/C8H8F4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h7-8,13H,2H2,1H3/t7-,8?/m1/s1.
What are the key properties of (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol?
(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol has a molecular weight of 196.14 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118873767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).