1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol

C9H9F3N2O — CID 163274460

IUPAC1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol
SMILESOC1(c2ncc(C(F)(F)F)cn2)CCC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-4-13-7(14-5-6)8(15)2-1-3-8/h4-5,15H,1-3H2
InChIKeyKIZQHINTBRTCND-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.87
Rot. Bonds1

About 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol

1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol (PubChem CID 163274460) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol
PubChem CID163274460
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol
SMILESOC1(c2ncc(C(F)(F)F)cn2)CCC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-4-13-7(14-5-6)8(15)2-1-3-8/h4-5,15H,1-3H2
InChIKeyKIZQHINTBRTCND-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)pyrimidin-5-yl]cyclohexan-1-ol
CID 155060677
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 115669125
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 138609278
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
1-(5-bromopyrimidin-2-yl)cyclohexan-1-ol;ethyl formate
CID 174824588
1-[5-(trifluoromethyl)-1H-indazol-7-yl]cyclohexan-1-ol
CID 134373965
8,8-dioxo-3-[5-(trifluoromethyl)-2-pyridinyl]-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171954420
1-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 166266400
N-(1-ethylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113488892
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol (CID 163274460) is 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol is OC1(c2ncc(C(F)(F)F)cn2)CCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol?
The InChIKey is KIZQHINTBRTCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)6-4-13-7(14-5-6)8(15)2-1-3-8/h4-5,15H,1-3H2.
What are the key properties of 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol?
1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol has a molecular weight of 218.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 163274460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).