3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 121289733

IUPAC3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N/c1-6(2)7(8(9,10)11)3-4-12-5-7/h6,12H,3-5H2,1-2H3
InChIKeyFOBVSAXSLDCLIG-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds1

About 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 121289733) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID121289733
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N/c1-6(2)7(8(9,10)11)3-4-12-5-7/h6,12H,3-5H2,1-2H3
InChIKeyFOBVSAXSLDCLIG-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-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 121289733) is 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is FOBVSAXSLDCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)7(8(9,10)11)3-4-12-5-7/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
3-propan-2-yl-3-(trifluoromethyl)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-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 121289733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).