6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

C8H7F3O — CID 21257323

IUPAC6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(C(F)(F)F)C=CC1O
InChIInChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4,7,12H,1H2
InChIKeyJDQJIIWTSSNAJD-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.96
Rot. Bonds

About 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 21257323) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID21257323
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(C(F)(F)F)C=CC1O
InChIInChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4,7,12H,1H2
InChIKeyJDQJIIWTSSNAJD-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 21257323) is 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is C=C1C=C(C(F)(F)F)C=CC1O.
What is the InChIKey of 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is JDQJIIWTSSNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4,7,12H,1H2.
What are the key properties of 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 176.14 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 21257323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).