5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine

C11H6F4N2 — CID 14112681

IUPAC5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFc1c(-c2ccccc2)ncnc1C(F)(F)F
InChIInChI=1S/C11H6F4N2/c12-8-9(7-4-2-1-3-5-7)16-6-17-10(8)11(13,14)15/h1-6H
InChIKeyXQHOGFJSBSCXIT-UHFFFAOYSA-N
MW242.18 g/mol
LogP3.30
Rot. Bonds1

About 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine

5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 14112681) has the molecular formula C11H6F4N2 and a molecular weight of 242.18 g/mol. Its IUPAC name is 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID14112681
Molecular FormulaC11H6F4N2
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFc1c(-c2ccccc2)ncnc1C(F)(F)F
InChIInChI=1S/C11H6F4N2/c12-8-9(7-4-2-1-3-5-7)16-6-17-10(8)11(13,14)15/h1-6H
InChIKeyXQHOGFJSBSCXIT-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
4-Iodo-6-phenylpyrimidine
CID 817368
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 24821287
2-Benzyl-4-methylpyrimidine
CID 915660
2-Amino-4-phenylpyrimidine-5-carbonitrile
CID 723688
4,6-Distyrylpyrimidine
CID 5331193
4-Chloro-6-phenylpyrimidine
CID 593429
4-Methyl-6-phenylpyrimidin-2-amine
CID 603940
2-Chloro-4-phenylpyrimidine
CID 605356

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine (CID 14112681) is 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine is Fc1c(-c2ccccc2)ncnc1C(F)(F)F.
What is the InChIKey of 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is XQHOGFJSBSCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2/c12-8-9(7-4-2-1-3-5-7)16-6-17-10(8)11(13,14)15/h1-6H.
What are the key properties of 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine?
5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 242.18 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14112681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).