2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine

C12H8F4N2 — CID 21025867

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H8F4N2/c1-7-4-5-17-11(18-7)8-2-3-10(13)9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyQIFPANPPBIEVKJ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.61
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine

2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine (PubChem CID 21025867) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
PubChem CID21025867
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H8F4N2/c1-7-4-5-17-11(18-7)8-2-3-10(13)9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyQIFPANPPBIEVKJ-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-4-methylpyrimidine
CID 21025841
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 54772290
4-methyl-2-[3-(4-methylphenyl)phenyl]pyrimidine
CID 118345332
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 107292674
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99930102
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 107290404
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79791283

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine (CID 21025867) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine is Cc1ccnc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The InChIKey is QIFPANPPBIEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c1-7-4-5-17-11(18-7)8-2-3-10(13)9(6-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine has a molecular weight of 256.20 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine is sourced from PubChem (CID 21025867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).