6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate

C9H9F4O- — CID 150784798

IUPAC6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate
SMILESCC1(F)C(CC(F)(F)F)=CC=CC1[O-]
InChIInChI=1S/C9H9F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7H,5H2,1H3/q-1
InChIKeyKCPWIAGJSDTEIN-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.89
Rot. Bonds1

About 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate

6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate (PubChem CID 150784798) has the molecular formula C9H9F4O- and a molecular weight of 209.16 g/mol. Its IUPAC name is 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate.

Molecular Properties

Compound Name6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate
PubChem CID150784798
Molecular FormulaC9H9F4O-
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Name6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate
SMILESCC1(F)C(CC(F)(F)F)=CC=CC1[O-]
InChIInChI=1S/C9H9F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7H,5H2,1H3/q-1
InChIKeyKCPWIAGJSDTEIN-UHFFFAOYSA-N
XLogP1.89
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 138701941
1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 154515690
5-Propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 163602906
1-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 166850844
5-(Difluoromethoxy)-1-propan-2-ylcyclohexa-1,3-diene
CID 166850877
5-Methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 146996971
6-Fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
CID 150784799
1-Ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene
CID 177210154

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate?
The IUPAC name of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate (CID 150784798) is 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate.
What is the SMILES notation for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate?
The canonical SMILES for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate is CC1(F)C(CC(F)(F)F)=CC=CC1[O-].
What is the InChIKey of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate?
The InChIKey is KCPWIAGJSDTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7H,5H2,1H3/q-1.
What are the key properties of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate?
6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate has a molecular weight of 209.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate is sourced from PubChem (CID 150784798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).