1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol

C8H8F4O2 — CID 91396506

IUPAC1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
SMILESC=C1C(F)=C(F)C(O)C(C)(F)C1(O)F
InChIInChI=1S/C8H8F4O2/c1-3-4(9)5(10)6(13)7(2,11)8(3,12)14/h6,13-14H,1H2,2H3
InChIKeyHWPUXMILBRSNJO-UHFFFAOYSA-N
MW212.14 g/mol
LogP1.45
Rot. Bonds

About 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol

1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol (PubChem CID 91396506) has the molecular formula C8H8F4O2 and a molecular weight of 212.14 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
PubChem CID91396506
Molecular FormulaC8H8F4O2
Molecular Weight212.14 g/mol
Exact Mass212.05
IUPAC Name1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
SMILESC=C1C(F)=C(F)C(O)C(C)(F)C1(O)F
InChIInChI=1S/C8H8F4O2/c1-3-4(9)5(10)6(13)7(2,11)8(3,12)14/h6,13-14H,1H2,2H3
InChIKeyHWPUXMILBRSNJO-UHFFFAOYSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-butan-2-yl]-4-fluoro-3-methylcyclohexa-2,4-dien-1-ol
CID 89864981
(6S)-2-ethyl-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-ol
CID 118873767
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
CID 147280085
6-Cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol
CID 163500382
3,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 163794301
(1S)-5-fluoro-3,5-dimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclopent-2-en-1-ol
CID 168250770
6-Fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
CID 150784799
(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 10964725
3,4-Dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 85348659
(1R,3R)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 100955637

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol?
The IUPAC name of 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol (CID 91396506) is 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol.
What is the SMILES notation for 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol?
The canonical SMILES for 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol is C=C1C(F)=C(F)C(O)C(C)(F)C1(O)F.
What is the InChIKey of 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol?
The InChIKey is HWPUXMILBRSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O2/c1-3-4(9)5(10)6(13)7(2,11)8(3,12)14/h6,13-14H,1H2,2H3.
What are the key properties of 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol?
1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol has a molecular weight of 212.14 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol is sourced from PubChem (CID 91396506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).