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

C14H19F3N2O — CID 171660770

IUPAC2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
SMILESCC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O
InChIInChI=1S/C14H19F3N2O/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17/h6-10,12,20H,3-5H2,1-2H3
InChIKeyWKNAISJYEIMRKM-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.40
Rot. Bonds2

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

2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol (PubChem CID 171660770) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
PubChem CID171660770
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
SMILESCC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O
InChIInChI=1S/C14H19F3N2O/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17/h6-10,12,20H,3-5H2,1-2H3
InChIKeyWKNAISJYEIMRKM-UHFFFAOYSA-N
XLogP3.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.40
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 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol (CID 171660770) is 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol is CC(C)C1CCC(c2cnc(C(F)(F)F)cn2)CC1O.
What is the InChIKey of 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
The InChIKey is WKNAISJYEIMRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-8(2)10-4-3-9(5-12(10)20)11-6-19-13(7-18-11)14(15,16)17/h6-10,12,20H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol?
2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 171660770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).