5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole

C7H10F3N — CID 123958711

IUPAC5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole
SMILESC[C@@H](C1=NCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)6-3-2-4-11-6/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyXSKLTKDWFLZJOP-YFKPBYRVSA-N
MW165.16 g/mol
LogP2.42
Rot. Bonds1

About 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole

5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 123958711) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole
PubChem CID123958711
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole
SMILESC[C@@H](C1=NCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)6-3-2-4-11-6/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyXSKLTKDWFLZJOP-YFKPBYRVSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole (CID 123958711) is 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole is C[C@@H](C1=NCCC1)C(F)(F)F.
What is the InChIKey of 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is XSKLTKDWFLZJOP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5(7(8,9)10)6-3-2-4-11-6/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole?
5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 165.16 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123958711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).