1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole

C11H8F4N2 — CID 52751123

IUPAC1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESFc1ccccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N2/c12-9-4-2-1-3-8(9)7-17-6-5-10(16-17)11(13,14)15/h1-6H,7H2
InChIKeySYEQUOPQGMYPKF-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.09
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole

1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 52751123) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID52751123
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESFc1ccccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N2/c12-9-4-2-1-3-8(9)7-17-6-5-10(16-17)11(13,14)15/h1-6H,7H2
InChIKeySYEQUOPQGMYPKF-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole (CID 52751123) is 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole is Fc1ccccc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is SYEQUOPQGMYPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c12-9-4-2-1-3-8(9)7-17-6-5-10(16-17)11(13,14)15/h1-6H,7H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole?
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 244.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 52751123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).