ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

C11H17F3N2O — CID 176687937

IUPACethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC.CCc1ncc(CC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O.C2H6/c1-2-8-13-4-6(5-14-8)3-7(15)9(10,11)12;1-2/h4-5,7,15H,2-3H2,1H3;1-2H3
InChIKeyYPBJTAITFHGDQY-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.53
Rot. Bonds3

About ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 176687937) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Nameethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID176687937
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Nameethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC.CCc1ncc(CC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O.C2H6/c1-2-8-13-4-6(5-14-8)3-7(15)9(10,11)12;1-2/h4-5,7,15H,2-3H2,1H3;1-2H3
InChIKeyYPBJTAITFHGDQY-UHFFFAOYSA-N
XLogP2.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-methyl-1(2-methyl-pyrimidin-5-yl)-propan-1-ol
CID 10975848
(S)-2-Methyl-1-(pyrimidin-5-yl)propan-1-ol
CID 11240594
2-Methyl-1-(pyrimidin-5-yl)propan-1-ol
CID 11744819
5-Hydroxyethyl-2-methylpyrimidine
CID 19086651
1-(2-(3,3-Dimethylbut-1-yn-1-yl)pyrimidin-5-yl)-2-methylpropan-1-ol
CID 24947465
[(3R*,4R*)-4-{[ethyl(methyl)amino]methyl}-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70750910
2,2-Dimethyl-3-[methyl(5-propylpyrimidin-2-yl)amino]propan-1-ol
CID 132415312
(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
CID 57708368
5-Pyrimidinemethanol, alpha-methyl-2-(trifluoromethyl)-
CID 59225756
5-Propyl-2-(trifluoromethyl)pyrimidine
CID 66695268
2-[2-(Trifluoromethyl)pyrimidin-5-yl]ethanol
CID 67212885
(E)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-1-en-1-ol
CID 67952574

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol (CID 176687937) is ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol is CC.CCc1ncc(CC(O)C(F)(F)F)cn1.
What is the InChIKey of ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is YPBJTAITFHGDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.C2H6/c1-2-8-13-4-6(5-14-8)3-7(15)9(10,11)12;1-2/h4-5,7,15H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol?
ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 250.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethylpyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 176687937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).