3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine

C8H14F3N — CID 82600921

IUPAC3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine
SMILESCC(C)(C1CCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2,8(9,10)11)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3
InChIKeyMOZIMIGQJNVBPO-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds1

About 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine

3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine (PubChem CID 82600921) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine
PubChem CID82600921
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine
SMILESCC(C)(C1CCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2,8(9,10)11)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3
InChIKeyMOZIMIGQJNVBPO-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine?
The IUPAC name of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine (CID 82600921) is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine?
The canonical SMILES for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine is CC(C)(C1CCNC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine?
The InChIKey is MOZIMIGQJNVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2,8(9,10)11)6-3-4-12-5-6/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine?
3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 82600921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).