6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C8H7F3O — CID 70223356

IUPAC6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESC=C1CC(C(F)(F)F)=CC=C1O
InChIInChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,12H,1,4H2
InChIKeyAFWWJDYMOFHFCQ-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.88
Rot. Bonds

About 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 70223356) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID70223356
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESC=C1CC(C(F)(F)F)=CC=C1O
InChIInChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,12H,1,4H2
InChIKeyAFWWJDYMOFHFCQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-1,3-dien-1-ol?
The IUPAC name of 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 70223356) is 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is C=C1CC(C(F)(F)F)=CC=C1O.
What is the InChIKey of 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is AFWWJDYMOFHFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,12H,1,4H2.
What are the key properties of 6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
6-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 176.14 g/mol, XLogP of 2.88, 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-1,3-dien-1-ol is sourced from PubChem (CID 70223356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).