cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol

C10H13FN2O — CID 66986535

IUPACcis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](c2nccnc2F)C1
InChIInChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8+/m1/s1
InChIKeyCEHASAOMFLHOAO-SFYZADRCSA-N
MW196.22 g/mol
LogP1.63
Rot. Bonds1

About cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol

cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (PubChem CID 66986535) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
PubChem CID66986535
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Namecis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](c2nccnc2F)C1
InChIInChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8+/m1/s1
InChIKeyCEHASAOMFLHOAO-SFYZADRCSA-N
XLogP1.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (CID 66986535) is cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is O[C@H]1CCC[C@@H](c2nccnc2F)C1.
What is the InChIKey of cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The InChIKey is CEHASAOMFLHOAO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10-9(12-4-5-13-10)7-2-1-3-8(14)6-7/h4-5,7-8,14H,1-3,6H2/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol has a molecular weight of 196.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 66986535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).