(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol

C7H6F4O — CID 70389822

IUPAC(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CC(F)(F)CC(F)=C1F
InChIInChI=1S/C7H6F4O/c8-5-2-7(10,11)1-4(3-12)6(5)9/h1,12H,2-3H2
InChIKeyZYDUPFLYLIGNRU-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.09
Rot. Bonds1

About (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol

(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol (PubChem CID 70389822) has the molecular formula C7H6F4O and a molecular weight of 182.12 g/mol. Its IUPAC name is (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol
PubChem CID70389822
Molecular FormulaC7H6F4O
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Name(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CC(F)(F)CC(F)=C1F
InChIInChI=1S/C7H6F4O/c8-5-2-7(10,11)1-4(3-12)6(5)9/h1,12H,2-3H2
InChIKeyZYDUPFLYLIGNRU-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol (CID 70389822) is (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol is OCC1=CC(F)(F)CC(F)=C1F.
What is the InChIKey of (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is ZYDUPFLYLIGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O/c8-5-2-7(10,11)1-4(3-12)6(5)9/h1,12H,2-3H2.
What are the key properties of (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol?
(3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 182.12 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5,6-tetrafluorocyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 70389822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).