(2S)-2-(trifluoromethyl)pyrrolidine

C5H8F3N — CID 2782840

IUPAC(2S)-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)[C@@H]1CCCN1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyVINAMCOZNJHNIH-BYPYZUCNSA-N
MW139.12 g/mol
LogP1.30
Rot. Bonds

About (2S)-2-(trifluoromethyl)pyrrolidine

(2S)-2-(trifluoromethyl)pyrrolidine (PubChem CID 2782840) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)pyrrolidine
PubChem CID2782840
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2S)-2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)[C@@H]1CCCN1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyVINAMCOZNJHNIH-BYPYZUCNSA-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 ≤ 500139.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-Methylpyrrolidine
CID 641544
2-Methylpyrrolidine
CID 13003
(2S)-2-methylpyrrolidine
CID 6999702
3,3-Difluoropyrrolidine hydrochloride
CID 24903482
3,3-Difluoropyrrolidine
CID 2782827
2-(Trifluoromethyl)pyrrolidine
CID 2782839
(2R)-2-(Trifluoromethyl)pyrrolidine
CID 7015082
(2S)-2-(fluoromethyl)pyrrolidine hydrochloride
CID 53346549
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
N-(2,2,2-trifluoroethyl)cyclopentanamine
CID 24697797
2-(Trifluoromethyl)pyrrolidine hydrochloride
CID 25210509
(2R)-2-(fluoromethyl)pyrrolidine hydrochloride
CID 54751706

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine (CID 2782840) is (2S)-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(trifluoromethyl)pyrrolidine is FC(F)(F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(trifluoromethyl)pyrrolidine?
The InChIKey is VINAMCOZNJHNIH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)pyrrolidine?
(2S)-2-(trifluoromethyl)pyrrolidine has a molecular weight of 139.12 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 (2S)-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 2782840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).