2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol

C8H7F5N2O2 — CID 172563259

IUPAC2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol
SMILESOC(c1cc(OCC(F)(F)F)ncn1)C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)6(16)4-1-5(15-3-14-4)17-2-8(11,12)13/h1,3,6-7,16H,2H2
InChIKeyFRKYZHLNFMYHEB-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.72
Rot. Bonds4

About 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol

2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol (PubChem CID 172563259) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol
PubChem CID172563259
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol
SMILESOC(c1cc(OCC(F)(F)F)ncn1)C(F)F
InChIInChI=1S/C8H7F5N2O2/c9-7(10)6(16)4-1-5(15-3-14-4)17-2-8(11,12)13/h1,3,6-7,16H,2H2
InChIKeyFRKYZHLNFMYHEB-UHFFFAOYSA-N
XLogP1.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide
CID 178036120
3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 64573844
5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethoxy]-1-methylpyrazolo[3,4-c]pyridazine
CID 172563320
2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
CID 94077245
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
3-bromo-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-1,2-diol
CID 171860909
tert-butyl 4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 66747847
4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79176734
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530
4-chloro-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butane-1,2-diol
CID 171894727
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
CID 178036037
[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
CID 171787037

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol?
The IUPAC name of 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol (CID 172563259) is 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol is OC(c1cc(OCC(F)(F)F)ncn1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol?
The InChIKey is FRKYZHLNFMYHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c9-7(10)6(16)4-1-5(15-3-14-4)17-2-8(11,12)13/h1,3,6-7,16H,2H2.
What are the key properties of 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol?
2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol has a molecular weight of 258.15 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol is sourced from PubChem (CID 172563259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).