1,2-difluorocyclohexa-3,5-diene-1,3-diol

C6H6F2O2 — CID 151186935

IUPAC1,2-difluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=CC(O)(F)C1F
InChIInChI=1S/C6H6F2O2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5,9-10H
InChIKeyNFMSIOVMGRJAMJ-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.99
Rot. Bonds

About 1,2-difluorocyclohexa-3,5-diene-1,3-diol

1,2-difluorocyclohexa-3,5-diene-1,3-diol (PubChem CID 151186935) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 1,2-difluorocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,2-difluorocyclohexa-3,5-diene-1,3-diol
PubChem CID151186935
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name1,2-difluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=CC(O)(F)C1F
InChIInChI=1S/C6H6F2O2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5,9-10H
InChIKeyNFMSIOVMGRJAMJ-UHFFFAOYSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,2-difluorocyclohexa-3,5-diene-1,3-diol (CID 151186935) is 1,2-difluorocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,2-difluorocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,2-difluorocyclohexa-3,5-diene-1,3-diol is OC1=CC=CC(O)(F)C1F.
What is the InChIKey of 1,2-difluorocyclohexa-3,5-diene-1,3-diol?
The InChIKey is NFMSIOVMGRJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5,9-10H.
What are the key properties of 1,2-difluorocyclohexa-3,5-diene-1,3-diol?
1,2-difluorocyclohexa-3,5-diene-1,3-diol has a molecular weight of 148.11 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 151186935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).