1-deuterio-2-(trifluoromethyl)pyrrolidine

C5H8F3N — CID 175824966

IUPAC1-deuterio-2-(trifluoromethyl)pyrrolidine
SMILES[2H]N1CCCC1C(F)(F)F
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/i/hD
InChIKeyVINAMCOZNJHNIH-DYCDLGHISA-N
MW140.13 g/mol
LogP1.30
Rot. Bonds

About 1-deuterio-2-(trifluoromethyl)pyrrolidine

1-deuterio-2-(trifluoromethyl)pyrrolidine (PubChem CID 175824966) has the molecular formula C5H8F3N and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-deuterio-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-deuterio-2-(trifluoromethyl)pyrrolidine
PubChem CID175824966
Molecular FormulaC5H8F3N
Molecular Weight140.13 g/mol
Exact Mass140.07
IUPAC Name1-deuterio-2-(trifluoromethyl)pyrrolidine
SMILES[2H]N1CCCC1C(F)(F)F
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/i/hD
InChIKeyVINAMCOZNJHNIH-DYCDLGHISA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6R)-2,6-bis(trifluoromethyl)piperidine
CID 96551753
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
6-(trifluoromethyl)piperidin-2-one
CID 57367082
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
(2R,6R)-2-methyl-6-(trifluoromethyl)piperidine
CID 95366768
(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
CID 162342228
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one
CID 175885092
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
2-cycloheptyl-6-(trifluoromethyl)piperidine
CID 106781025
2-(trifluoromethyl)pyrrolidine;4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
CID 158315950

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-deuterio-2-(trifluoromethyl)pyrrolidine (CID 175824966) is 1-deuterio-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-deuterio-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-deuterio-2-(trifluoromethyl)pyrrolidine is [2H]N1CCCC1C(F)(F)F.
What is the InChIKey of 1-deuterio-2-(trifluoromethyl)pyrrolidine?
The InChIKey is VINAMCOZNJHNIH-DYCDLGHISA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/i/hD.
What are the key properties of 1-deuterio-2-(trifluoromethyl)pyrrolidine?
1-deuterio-2-(trifluoromethyl)pyrrolidine has a molecular weight of 140.13 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 175824966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).