5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol

C10H13F3N2O — CID 105120629

IUPAC5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol
SMILESCc1cnc(C(O)CCCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7-5-15-8(6-14-7)9(16)3-2-4-10(11,12)13/h5-6,9,16H,2-4H2,1H3
InChIKeyKVULJCHERKYUQF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.55
Rot. Bonds4

About 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol

5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol (PubChem CID 105120629) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol
PubChem CID105120629
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol
SMILESCc1cnc(C(O)CCCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7-5-15-8(6-14-7)9(16)3-2-4-10(11,12)13/h5-6,9,16H,2-4H2,1H3
InChIKeyKVULJCHERKYUQF-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
2,5-Bis-(tetrahydroxybutyl)-pyrazine
CID 87151883
1-(3-Fluoropyrazin-2-yl)ethanol
CID 15369689
(2R,3S,4R)-3-fluoro-4-[6-[(2S,3R)-2-fluoro-3,4-dihydroxybutyl]pyrazin-2-yl]butane-1,2,4-triol
CID 18712854
(1R,2S,3R)-4-fluoro-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3-triol
CID 20684299
(1R,2S,3S)-4-fluoro-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3-triol
CID 20684300
3-Fluoro-4-[6-(2-fluoro-3,4-dihydroxybutyl)pyrazin-2-yl]butane-1,2,4-triol
CID 22624070
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733028
4,4,4-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733030
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol (CID 105120629) is 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol is Cc1cnc(C(O)CCCC(F)(F)F)cn1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol?
The InChIKey is KVULJCHERKYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-5-15-8(6-14-7)9(16)3-2-4-10(11,12)13/h5-6,9,16H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol?
5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol is sourced from PubChem (CID 105120629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).