1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol

C20H22F4N2O2 — CID 88721898

IUPAC1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
SMILESOC(Cc1cnccn1)(c1ccc(OC(F)(F)C(F)F)cc1)C1CCCCC1
InChIInChI=1S/C20H22F4N2O2/c21-18(22)20(23,24)28-17-8-6-15(7-9-17)19(27,14-4-2-1-3-5-14)12-16-13-25-10-11-26-16/h6-11,13-14,18,27H,1-5,12H2
InChIKeyHQTVLOQSUKOGEL-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.72
Rot. Bonds7

About 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol

1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol (PubChem CID 88721898) has the molecular formula C20H22F4N2O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
PubChem CID88721898
Molecular FormulaC20H22F4N2O2
Molecular Weight398.40 g/mol
Exact Mass398.16
IUPAC Name1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
SMILESOC(Cc1cnccn1)(c1ccc(OC(F)(F)C(F)F)cc1)C1CCCCC1
InChIInChI=1S/C20H22F4N2O2/c21-18(22)20(23,24)28-17-8-6-15(7-9-17)19(27,14-4-2-1-3-5-14)12-16-13-25-10-11-26-16/h6-11,13-14,18,27H,1-5,12H2
InChIKeyHQTVLOQSUKOGEL-UHFFFAOYSA-N
XLogP4.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The IUPAC name of 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol (CID 88721898) is 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The canonical SMILES for 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol is OC(Cc1cnccn1)(c1ccc(OC(F)(F)C(F)F)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
The InChIKey is HQTVLOQSUKOGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O2/c21-18(22)20(23,24)28-17-8-6-15(7-9-17)19(27,14-4-2-1-3-5-14)12-16-13-25-10-11-26-16/h6-11,13-14,18,27H,1-5,12H2.
What are the key properties of 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol?
1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol has a molecular weight of 398.40 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol is sourced from PubChem (CID 88721898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).