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

C7H7F3O — CID 166978400

IUPAC6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-2,4-5,11H,3H2
InChIKeyPKXQNRQFBGTLOE-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.57
Rot. Bonds

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

6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 166978400) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID166978400
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-2,4-5,11H,3H2
InChIKeyPKXQNRQFBGTLOE-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 166978400) is 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is OC1=CC=CCC1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is PKXQNRQFBGTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-2,4-5,11H,3H2.
What are the key properties of 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 164.13 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 166978400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).