4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine

C17H11ClF2N2 — CID 88943269

IUPAC4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
SMILESFCc1ccccc1-c1nc(Cl)cc(-c2ccccc2F)n1
InChIInChI=1S/C17H11ClF2N2/c18-16-9-15(13-7-3-4-8-14(13)20)21-17(22-16)12-6-2-1-5-11(12)10-19/h1-9H,10H2
InChIKeyYLCPWRLGGQIMSE-UHFFFAOYSA-N
MW316.74 g/mol
LogP5.07
Rot. Bonds3

About 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine

4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine (PubChem CID 88943269) has the molecular formula C17H11ClF2N2 and a molecular weight of 316.74 g/mol. Its IUPAC name is 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
PubChem CID88943269
Molecular FormulaC17H11ClF2N2
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
SMILESFCc1ccccc1-c1nc(Cl)cc(-c2ccccc2F)n1
InChIInChI=1S/C17H11ClF2N2/c18-16-9-15(13-7-3-4-8-14(13)20)21-17(22-16)12-6-2-1-5-11(12)10-19/h1-9H,10H2
InChIKeyYLCPWRLGGQIMSE-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.74
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
CID 134110596
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
CID 114088705
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
CID 131869939
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
CID 54444470

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine (CID 88943269) is 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine is FCc1ccccc1-c1nc(Cl)cc(-c2ccccc2F)n1.
What is the InChIKey of 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine?
The InChIKey is YLCPWRLGGQIMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2/c18-16-9-15(13-7-3-4-8-14(13)20)21-17(22-16)12-6-2-1-5-11(12)10-19/h1-9H,10H2.
What are the key properties of 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine?
4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine has a molecular weight of 316.74 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine is sourced from PubChem (CID 88943269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).