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

C10H13FN2O — CID 59351280

IUPACcis-(1R,3S)-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+/m0/s1
InChIKeyCEHASAOMFLHOAO-JGVFFNPUSA-N
MW196.22 g/mol
LogP1.63
Rot. Bonds1

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

cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (PubChem CID 59351280) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
PubChem CID59351280
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Namecis-(1R,3S)-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+/m0/s1
InChIKeyCEHASAOMFLHOAO-JGVFFNPUSA-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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Related Compounds

(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 58326414
(1S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351195
(1R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351381
3-(3-Fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351403
(Rac)-trans-3-(3-fluoropyrazin-2-yl)cyclohexanol
CID 59351407
trans-(1R,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 66986416
(Rac)-cis-3-(3-fluoropyrazin-2-yl)cyclohexanol
CID 66986535
(1R,2S,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311739
(1S,2R,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311768
(1S,2S,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311784
(1S,2R,4R)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311793
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171557894

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol (CID 59351280) is cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is O[C@@H]1CCC[C@H](c2nccnc2F)C1.
What is the InChIKey of cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
The InChIKey is CEHASAOMFLHOAO-JGVFFNPUSA-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+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol?
cis-(1R,3S)-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-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 59351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).