1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol

C9H8F6O2 — CID 151520727

IUPAC1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1(O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F6O2/c10-6(11)8(12,13)9(14,15)7(17)4-2-1-3-5(7)16/h1-6,16-17H
InChIKeyPUKWLIGSQOYITM-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.74
Rot. Bonds3

About 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol

1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 151520727) has the molecular formula C9H8F6O2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol
PubChem CID151520727
Molecular FormulaC9H8F6O2
Molecular Weight262.15 g/mol
Exact Mass262.04
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1(O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F6O2/c10-6(11)8(12,13)9(14,15)7(17)4-2-1-3-5(7)16/h1-6,16-17H
InChIKeyPUKWLIGSQOYITM-UHFFFAOYSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6,6-Difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 130146321
2-Propyl-catechol
CID 68475566
2-Allylcatechol
CID 69987121
1-(Difluoromethyl)cyclohex-4-ene-1,2-diol
CID 89172023
1-(Fluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463393
1-(Difluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463394
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1,2-diol;(E)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 143625324
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
CID 147280085
3,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 163794301
1-(1,6-Difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol
CID 164899507
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexa-2,4-dien-1-ol
CID 172704020
2-s-Butylcatechol
CID 129661673

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol (CID 151520727) is 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol is OC1C=CC=CC1(O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is PUKWLIGSQOYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O2/c10-6(11)8(12,13)9(14,15)7(17)4-2-1-3-5(7)16/h1-6,16-17H.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol?
1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 262.15 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 151520727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).