(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol

C8H11FO — CID 89324892

IUPAC(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=C(F)[C@H](O)C1
InChIInChI=1S/C8H11FO/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8,10H,2,5H2,1H3/t8-/m1/s1
InChIKeyXZJWDZLPEYGMED-MRVPVSSYSA-N
MW142.17 g/mol
LogP1.94
Rot. Bonds1

About (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol

(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 89324892) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol
PubChem CID89324892
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=C(F)[C@H](O)C1
InChIInChI=1S/C8H11FO/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8,10H,2,5H2,1H3/t8-/m1/s1
InChIKeyXZJWDZLPEYGMED-MRVPVSSYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol (CID 89324892) is (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol is CCC1=CC=C(F)[C@H](O)C1.
What is the InChIKey of (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is XZJWDZLPEYGMED-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8,10H,2,5H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol?
(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89324892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).