[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol

C13H10F4N2O2 — CID 104514714

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2O2/c1-21-12-10(18-4-5-19-12)11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-6,11,20H,1H3
InChIKeyKVCXIUDOPCSIEV-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.72
Rot. Bonds3

About [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol

[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol (PubChem CID 104514714) has the molecular formula C13H10F4N2O2 and a molecular weight of 302.23 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
PubChem CID104514714
Molecular FormulaC13H10F4N2O2
Molecular Weight302.23 g/mol
Exact Mass302.07
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2O2/c1-21-12-10(18-4-5-19-12)11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-6,11,20H,1H3
InChIKeyKVCXIUDOPCSIEV-UHFFFAOYSA-N
XLogP2.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104515101
(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
CID 107291766
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123968
(3-methoxypyrazin-2-yl)-(3-propoxyphenyl)methanol
CID 104514492
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
CID 107287144
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515565
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol (CID 104514714) is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is KVCXIUDOPCSIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2/c1-21-12-10(18-4-5-19-12)11(20)7-2-3-9(14)8(6-7)13(15,16)17/h2-6,11,20H,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 302.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 104514714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).