2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine

C9H13ClF3N3 — CID 174800178

IUPAC2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine
SMILESC1CNCCN1.FC(F)(F)c1ccc(Cl)[nH]1
InChIInChI=1S/C5H3ClF3N.C4H10N2/c6-4-2-1-3(10-4)5(7,8)9;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2
InChIKeyNLLQARLCVUPJSU-UHFFFAOYSA-N
MW255.67 g/mol
LogP1.87
Rot. Bonds

About 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine

2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine (PubChem CID 174800178) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine
PubChem CID174800178
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine
SMILESC1CNCCN1.FC(F)(F)c1ccc(Cl)[nH]1
InChIInChI=1S/C5H3ClF3N.C4H10N2/c6-4-2-1-3(10-4)5(7,8)9;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2
InChIKeyNLLQARLCVUPJSU-UHFFFAOYSA-N
XLogP1.87
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 118703918
3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
3-fluoro-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 118703926
(2S)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193868
3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 89003285
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130092905
3-methoxy-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 125129395
2-fluoro-5-(trifluoromethyl)-1H-pyrrole;pyridine
CID 174859480
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
4-chlorophenol;piperazine
CID 159117367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine (CID 174800178) is 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine is C1CNCCN1.FC(F)(F)c1ccc(Cl)[nH]1.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine?
The InChIKey is NLLQARLCVUPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N.C4H10N2/c6-4-2-1-3(10-4)5(7,8)9;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2.
What are the key properties of 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine?
2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine has a molecular weight of 255.67 g/mol, XLogP of 1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)-1H-pyrrole;piperazine is sourced from PubChem (CID 174800178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).