(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole

C11H8F6N2 — CID 101378275

IUPAC(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole
SMILESFC(F)(F)[C@@H]1C=CC(CC2=N[C@H](C(F)(F)F)C=C2)=N1
InChIInChI=1S/C11H8F6N2/c12-10(13,14)8-3-1-6(18-8)5-7-2-4-9(19-7)11(15,16)17/h1-4,8-9H,5H2/t8-,9-/m0/s1
InChIKeyXPTTYMFYQTVHMT-IUCAKERBSA-N
MW282.19 g/mol
LogP3.26
Rot. Bonds2

About (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole

(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole (PubChem CID 101378275) has the molecular formula C11H8F6N2 and a molecular weight of 282.19 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole
PubChem CID101378275
Molecular FormulaC11H8F6N2
Molecular Weight282.19 g/mol
Exact Mass282.06
IUPAC Name(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole
SMILESFC(F)(F)[C@@H]1C=CC(CC2=N[C@H](C(F)(F)F)C=C2)=N1
InChIInChI=1S/C11H8F6N2/c12-10(13,14)8-3-1-6(18-8)5-7-2-4-9(19-7)11(15,16)17/h1-4,8-9H,5H2/t8-,9-/m0/s1
InChIKeyXPTTYMFYQTVHMT-IUCAKERBSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378278
2-ethyl-5-(trifluoromethyl)-2H-pyrrole
CID 147036435
5-but-3-enyl-3-(trifluoromethyl)-2H-pyrrole
CID 172271509
(2R)-2-methyl-5-[[(2R)-2-methyl-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The IUPAC name of (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole (CID 101378275) is (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole.
What is the SMILES notation for (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The canonical SMILES for (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole is FC(F)(F)[C@@H]1C=CC(CC2=N[C@H](C(F)(F)F)C=C2)=N1.
What is the InChIKey of (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
The InChIKey is XPTTYMFYQTVHMT-IUCAKERBSA-N. The full InChI is InChI=1S/C11H8F6N2/c12-10(13,14)8-3-1-6(18-8)5-7-2-4-9(19-7)11(15,16)17/h1-4,8-9H,5H2/t8-,9-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole?
(2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole has a molecular weight of 282.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)-5-[[(2S)-2-(trifluoromethyl)-2H-pyrrol-5-yl]methyl]-2H-pyrrole is sourced from PubChem (CID 101378275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).