2-fluorocyclohex-2-ene-1,4-diol

C6H9FO2 — CID 159338028

IUPAC2-fluorocyclohex-2-ene-1,4-diol
SMILESOC1C=C(F)C(O)CC1
InChIInChI=1S/C6H9FO2/c7-5-3-4(8)1-2-6(5)9/h3-4,6,8-9H,1-2H2
InChIKeyLFUGMYVZIYSWJH-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.36
Rot. Bonds

About 2-fluorocyclohex-2-ene-1,4-diol

2-fluorocyclohex-2-ene-1,4-diol (PubChem CID 159338028) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-fluorocyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name2-fluorocyclohex-2-ene-1,4-diol
PubChem CID159338028
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-fluorocyclohex-2-ene-1,4-diol
SMILESOC1C=C(F)C(O)CC1
InChIInChI=1S/C6H9FO2/c7-5-3-4(8)1-2-6(5)9/h3-4,6,8-9H,1-2H2
InChIKeyLFUGMYVZIYSWJH-UHFFFAOYSA-N
XLogP0.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-OL
CID 13198
(1S)-2-Cyclohexen-1-ol
CID 5325854
(1R)-cyclohex-2-en-1-ol
CID 10486804
2-Cyclohexene-1,4-diol
CID 550825
Cyclohex-2-ene-1,4-diol
CID 7057958
2-Fluorocyclohex-2-en-1-ol
CID 155858427
(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol
CID 170984255
(Z)-6-fluoroundec-6-en-5-ol
CID 14691023
(Z)-3-fluorooct-2-ene-1,8-diol
CID 138375676
Cyclohex-2-en-1-d-1-ol
CID 12213525
(1S,4S)-cyclohex-2-ene-1,4-diol
CID 7057956
AC1Oejmq
CID 7057957

Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohex-2-ene-1,4-diol?
The IUPAC name of 2-fluorocyclohex-2-ene-1,4-diol (CID 159338028) is 2-fluorocyclohex-2-ene-1,4-diol.
What is the SMILES notation for 2-fluorocyclohex-2-ene-1,4-diol?
The canonical SMILES for 2-fluorocyclohex-2-ene-1,4-diol is OC1C=C(F)C(O)CC1.
What is the InChIKey of 2-fluorocyclohex-2-ene-1,4-diol?
The InChIKey is LFUGMYVZIYSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-5-3-4(8)1-2-6(5)9/h3-4,6,8-9H,1-2H2.
What are the key properties of 2-fluorocyclohex-2-ene-1,4-diol?
2-fluorocyclohex-2-ene-1,4-diol has a molecular weight of 132.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclohex-2-ene-1,4-diol is sourced from PubChem (CID 159338028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).