2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine

C12H9F3N2O — CID 68630973

IUPAC2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-10-4-2-9(3-5-10)8-11-16-6-1-7-17-11/h1-7H,8H2
InChIKeySNPBIBUKLZBLFY-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.97
Rot. Bonds3

About 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine

2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine (PubChem CID 68630973) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
PubChem CID68630973
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-10-4-2-9(3-5-10)8-11-16-6-1-7-17-11/h1-7H,8H2
InChIKeySNPBIBUKLZBLFY-UHFFFAOYSA-N
XLogP2.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 67521270
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 86807415
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
CID 174890629
4-(pyrimidin-2-ylmethyl)-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 153122838
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium
CID 10673816
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 116628886
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 119139027
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine (CID 68630973) is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine is FC(F)(F)Oc1ccc(Cc2ncccn2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine?
The InChIKey is SNPBIBUKLZBLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)18-10-4-2-9(3-5-10)8-11-16-6-1-7-17-11/h1-7H,8H2.
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine?
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine has a molecular weight of 254.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine is sourced from PubChem (CID 68630973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).