2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine

C10H8F4N2 — CID 174859480

IUPAC2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine
SMILESFc1ccc(C(F)(F)F)[nH]1.c1ccncc1
InChIInChI=1S/C5H3F4N.C5H5N/c6-4-2-1-3(10-4)5(7,8)9;1-2-4-6-5-3-1/h1-2,10H;1-5H
InChIKeyPTAFUZOGWIEPKI-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.25
Rot. Bonds

About 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine

2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine (PubChem CID 174859480) has the molecular formula C10H8F4N2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine
PubChem CID174859480
Molecular FormulaC10H8F4N2
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine
SMILESFc1ccc(C(F)(F)F)[nH]1.c1ccncc1
InChIInChI=1S/C5H3F4N.C5H5N/c6-4-2-1-3(10-4)5(7,8)9;1-2-4-6-5-3-1/h1-2,10H;1-5H
InChIKeyPTAFUZOGWIEPKI-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine (CID 174859480) is 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine is Fc1ccc(C(F)(F)F)[nH]1.c1ccncc1.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine?
The InChIKey is PTAFUZOGWIEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N.C5H5N/c6-4-2-1-3(10-4)5(7,8)9;1-2-4-6-5-3-1/h1-2,10H;1-5H.
What are the key properties of 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine?
2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine has a molecular weight of 232.18 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine is sourced from PubChem (CID 174859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).