(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol

C12H16F2N2O2 — CID 114215738

IUPAC(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H16F2N2O2/c1-18-11-9(15-5-6-16-11)10(17)8-3-2-4-12(13,14)7-8/h5-6,8,10,17H,2-4,7H2,1H3
InChIKeyNJAKJHZLKBDSIF-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.34
Rot. Bonds3

About (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol

(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 114215738) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID114215738
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H16F2N2O2/c1-18-11-9(15-5-6-16-11)10(17)8-3-2-4-12(13,14)7-8/h5-6,8,10,17H,2-4,7H2,1H3
InChIKeyNJAKJHZLKBDSIF-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104368409
1-(3,5-Dimethoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104368410
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610
1-(3-Methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104514611

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol (CID 114215738) is (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)C1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is NJAKJHZLKBDSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-11-9(15-5-6-16-11)10(17)8-3-2-4-12(13,14)7-8/h5-6,8,10,17H,2-4,7H2,1H3.
What are the key properties of (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
(3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 258.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 114215738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).