1,3,6-trifluorocyclohexa-2,4-dien-1-ol

C6H5F3O — CID 67532845

IUPAC1,3,6-trifluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=C(F)C=CC1F
InChIInChI=1S/C6H5F3O/c7-4-1-2-5(8)6(9,10)3-4/h1-3,5,10H
InChIKeyPVZNYRPRRDNQSE-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.41
Rot. Bonds

About 1,3,6-trifluorocyclohexa-2,4-dien-1-ol

1,3,6-trifluorocyclohexa-2,4-dien-1-ol (PubChem CID 67532845) has the molecular formula C6H5F3O and a molecular weight of 150.10 g/mol. Its IUPAC name is 1,3,6-trifluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3,6-trifluorocyclohexa-2,4-dien-1-ol
PubChem CID67532845
Molecular FormulaC6H5F3O
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name1,3,6-trifluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=C(F)C=CC1F
InChIInChI=1S/C6H5F3O/c7-4-1-2-5(8)6(9,10)3-4/h1-3,5,10H
InChIKeyPVZNYRPRRDNQSE-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Difluorocyclohexa-1,5-dien-1-ol
CID 142307514
6-Fluorocyclohexa-2,4-dien-1-ol
CID 134894964
1-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242865
1,3,4,6-Tetrafluorocyclohexa-2,4-dien-1-ol
CID 19760670
1-Fluorocyclohexa-2,4-dien-1-ol
CID 20201527
1,6-Difluorocyclohexa-2,4-dien-1-ol
CID 22027063
1-Bromo-3,5-difluorocyclohexa-2,4-dien-1-ol
CID 22118090
4-Chloro-1-fluorophenol
CID 22482861
1-Fluorocyclohexa-3,5-diene-1,3-diol
CID 22996723
1-Bromo-5-fluorocyclohexa-2,4-dien-1-ol
CID 67589329
5-Fluorocyclohexa-1,5-dien-1-ol
CID 68353020
2,4-Difluorocyclohexa-1,5-diene-1,4-diol
CID 68897124

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trifluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3,6-trifluorocyclohexa-2,4-dien-1-ol (CID 67532845) is 1,3,6-trifluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3,6-trifluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3,6-trifluorocyclohexa-2,4-dien-1-ol is OC1(F)C=C(F)C=CC1F.
What is the InChIKey of 1,3,6-trifluorocyclohexa-2,4-dien-1-ol?
The InChIKey is PVZNYRPRRDNQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O/c7-4-1-2-5(8)6(9,10)3-4/h1-3,5,10H.
What are the key properties of 1,3,6-trifluorocyclohexa-2,4-dien-1-ol?
1,3,6-trifluorocyclohexa-2,4-dien-1-ol has a molecular weight of 150.10 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trifluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67532845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).