5,5,6-trifluorocyclohexa-1,3-dien-1-ol

C6H5F3O — CID 18630559

IUPAC5,5,6-trifluorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CC(F)(F)C1F
InChIInChI=1S/C6H5F3O/c7-5-4(10)2-1-3-6(5,8)9/h1-3,5,10H
InChIKeyPZGZBCHRENTSDU-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.97
Rot. Bonds

About 5,5,6-trifluorocyclohexa-1,3-dien-1-ol

5,5,6-trifluorocyclohexa-1,3-dien-1-ol (PubChem CID 18630559) has the molecular formula C6H5F3O and a molecular weight of 150.10 g/mol. Its IUPAC name is 5,5,6-trifluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5,5,6-trifluorocyclohexa-1,3-dien-1-ol
PubChem CID18630559
Molecular FormulaC6H5F3O
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name5,5,6-trifluorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CC(F)(F)C1F
InChIInChI=1S/C6H5F3O/c7-5-4(10)2-1-3-6(5,8)9/h1-3,5,10H
InChIKeyPZGZBCHRENTSDU-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trifluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 5,5,6-trifluorocyclohexa-1,3-dien-1-ol (CID 18630559) is 5,5,6-trifluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5,5,6-trifluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5,5,6-trifluorocyclohexa-1,3-dien-1-ol is OC1=CC=CC(F)(F)C1F.
What is the InChIKey of 5,5,6-trifluorocyclohexa-1,3-dien-1-ol?
The InChIKey is PZGZBCHRENTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O/c7-5-4(10)2-1-3-6(5,8)9/h1-3,5,10H.
What are the key properties of 5,5,6-trifluorocyclohexa-1,3-dien-1-ol?
5,5,6-trifluorocyclohexa-1,3-dien-1-ol has a molecular weight of 150.10 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 18630559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).