2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine

C11H10F6N2 — CID 141429912

IUPAC2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
SMILESFC(F)(F)c1cc(C2(C(F)(F)F)CCNC2)ccn1
InChIInChI=1S/C11H10F6N2/c12-10(13,14)8-5-7(1-3-19-8)9(11(15,16)17)2-4-18-6-9/h1,3,5,18H,2,4,6H2
InChIKeyMQNYKFRSWKACNQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.89
Rot. Bonds1

About 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine

2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine (PubChem CID 141429912) has the molecular formula C11H10F6N2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
PubChem CID141429912
Molecular FormulaC11H10F6N2
Molecular Weight284.20 g/mol
Exact Mass284.07
IUPAC Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
SMILESFC(F)(F)c1cc(C2(C(F)(F)F)CCNC2)ccn1
InChIInChI=1S/C11H10F6N2/c12-10(13,14)8-5-7(1-3-19-8)9(11(15,16)17)2-4-18-6-9/h1,3,5,18H,2,4,6H2
InChIKeyMQNYKFRSWKACNQ-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine (CID 141429912) is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine is FC(F)(F)c1cc(C2(C(F)(F)F)CCNC2)ccn1.
What is the InChIKey of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine?
The InChIKey is MQNYKFRSWKACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2/c12-10(13,14)8-5-7(1-3-19-8)9(11(15,16)17)2-4-18-6-9/h1,3,5,18H,2,4,6H2.
What are the key properties of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine?
2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine has a molecular weight of 284.20 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 141429912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).