1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol

C10H18F3NO — CID 176717802

IUPAC1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
SMILESCO.FC(F)(F)C1CCCN1C1CCC1
InChIInChI=1S/C9H14F3N.CH4O/c10-9(11,12)8-5-2-6-13(8)7-3-1-4-7;1-2/h7-8H,1-6H2;2H,1H3
InChIKeyBULLLPBQTAADQV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.17
Rot. Bonds1

About 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol

1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol (PubChem CID 176717802) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
PubChem CID176717802
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
SMILESCO.FC(F)(F)C1CCCN1C1CCC1
InChIInChI=1S/C9H14F3N.CH4O/c10-9(11,12)8-5-2-6-13(8)7-3-1-4-7;1-2/h7-8H,1-6H2;2H,1H3
InChIKeyBULLLPBQTAADQV-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyl-1-cyclobutylpyrrolidine
CID 167335912
2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
CID 158315950
(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 71444298
2-tert-butyl-1-cyclopentylpiperidine
CID 58564040
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
1-cyclohexyl-2-methyl-6-(trifluoromethyl)piperidine
CID 162577100
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol?
The IUPAC name of 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol (CID 176717802) is 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol.
What is the SMILES notation for 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol?
The canonical SMILES for 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol is CO.FC(F)(F)C1CCCN1C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol?
The InChIKey is BULLLPBQTAADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N.CH4O/c10-9(11,12)8-5-2-6-13(8)7-3-1-4-7;1-2/h7-8H,1-6H2;2H,1H3.
What are the key properties of 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol?
1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol has a molecular weight of 225.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol is sourced from PubChem (CID 176717802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).