2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol

C11H16ClF3N2O2 — CID 157267746

IUPAC2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
SMILESCC(C)(O)c1cnc(Cl)nc1C(F)(F)F.CC(C)O
InChIInChI=1S/C8H8ClF3N2O.C3H8O/c1-7(2,15)4-3-13-6(9)14-5(4)8(10,11)12;1-3(2)4/h3,15H,1-2H3;3-4H,1-2H3
InChIKeyAYEMZSIBBUUOPN-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.76
Rot. Bonds1

About 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol

2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol (PubChem CID 157267746) has the molecular formula C11H16ClF3N2O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
PubChem CID157267746
Molecular FormulaC11H16ClF3N2O2
Molecular Weight300.71 g/mol
Exact Mass300.09
IUPAC Name2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
SMILESCC(C)(O)c1cnc(Cl)nc1C(F)(F)F.CC(C)O
InChIInChI=1S/C8H8ClF3N2O.C3H8O/c1-7(2,15)4-3-13-6(9)14-5(4)8(10,11)12;1-3(2)4/h3,15H,1-2H3;3-4H,1-2H3
InChIKeyAYEMZSIBBUUOPN-UHFFFAOYSA-N
XLogP2.76
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
CID 158510317
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine;2,5-dichloro-4-(trifluoromethyl)pyrimidine
CID 157221631
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87369005
1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol
CID 177012608
2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol
CID 134598877
1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
CID 59825980
2-[2-(7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
CID 142489062
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol
CID 87138285
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-6-fluoro-7-methylsulfanyl-1H-indole
CID 163214404
2-[2-(7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
CID 142489069

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol (CID 157267746) is 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol is CC(C)(O)c1cnc(Cl)nc1C(F)(F)F.CC(C)O.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol?
The InChIKey is AYEMZSIBBUUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O.C3H8O/c1-7(2,15)4-3-13-6(9)14-5(4)8(10,11)12;1-3(2)4/h3,15H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol?
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol has a molecular weight of 300.71 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol is sourced from PubChem (CID 157267746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).