2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine

C15H25F6N3 — CID 158315950

IUPAC2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC(F)(F)C1CCCN1.FC(F)(F)C1CCCN1C1CCNCC1
InChIInChI=1S/C10H17F3N2.C5H8F3N/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8;6-5(7,8)4-2-1-3-9-4/h8-9,14H,1-7H2;4,9H,1-3H2
InChIKeyGOGJXTDOMJYPRD-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.07
Rot. Bonds1

About 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine

2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine (PubChem CID 158315950) has the molecular formula C15H25F6N3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
PubChem CID158315950
Molecular FormulaC15H25F6N3
Molecular Weight361.37 g/mol
Exact Mass361.20
IUPAC Name2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC(F)(F)C1CCCN1.FC(F)(F)C1CCCN1C1CCNCC1
InChIInChI=1S/C10H17F3N2.C5H8F3N/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8;6-5(7,8)4-2-1-3-9-4/h8-9,14H,1-7H2;4,9H,1-3H2
InChIKeyGOGJXTDOMJYPRD-UHFFFAOYSA-N
XLogP3.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
CID 176717802
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
4-(2,3-dimethylpiperidin-1-yl)azepane
CID 63903287
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
CID 115101253
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine (CID 158315950) is 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine is FC(F)(F)C1CCCN1.FC(F)(F)C1CCCN1C1CCNCC1.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is GOGJXTDOMJYPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2.C5H8F3N/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8;6-5(7,8)4-2-1-3-9-4/h8-9,14H,1-7H2;4,9H,1-3H2.
What are the key properties of 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 361.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 158315950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).