ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol

C16H25F3N2O — CID 171660769

IUPACethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
SMILESCC.CC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O
InChIInChI=1S/C14H19F3N2O.C2H6/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17;1-2/h6-10,12,20H,3-5H2,1-2H3;1-2H3
InChIKeyRLTFLGISQSJSKK-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.42
Rot. Bonds2

About ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol

ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol (PubChem CID 171660769) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
PubChem CID171660769
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Nameethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
SMILESCC.CC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O
InChIInChI=1S/C14H19F3N2O.C2H6/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17;1-2/h6-10,12,20H,3-5H2,1-2H3;1-2H3
InChIKeyRLTFLGISQSJSKK-UHFFFAOYSA-N
XLogP4.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.42
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
cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351280
(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

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The IUPAC name of ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol (CID 171660769) is ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The canonical SMILES for ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol is CC.CC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O.
What is the InChIKey of ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The InChIKey is RLTFLGISQSJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O.C2H6/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17;1-2/h6-10,12,20H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol has a molecular weight of 318.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 171660769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).