(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol

C12H16F2N2O2 — CID 105123934

IUPAC(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O2/c1-18-11-9(15-6-7-16-11)10(17)8-2-4-12(13,14)5-3-8/h6-8,10,17H,2-5H2,1H3
InChIKeySLAZXEUQRFLWPD-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.34
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol

(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 105123934) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID105123934
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O2/c1-18-11-9(15-6-7-16-11)10(17)8-2-4-12(13,14)5-3-8/h6-8,10,17H,2-5H2,1H3
InChIKeySLAZXEUQRFLWPD-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

(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
CID 114054843
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707
cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol
CID 104514583
1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515704
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol
CID 104514624
1-[amino-(3-methoxypyrazin-2-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 104515849
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421542
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol (CID 105123934) is (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is SLAZXEUQRFLWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-11-9(15-6-7-16-11)10(17)8-2-4-12(13,14)5-3-8/h6-8,10,17H,2-5H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol?
(4,4-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 (4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 105123934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).