1-propyl-3-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 129237774

IUPAC1-propyl-3-(trifluoromethyl)pyrrolidine
SMILESCCCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h7H,2-6H2,1H3
InChIKeyYGIHTEAKXMAPJY-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.28
Rot. Bonds2

About 1-propyl-3-(trifluoromethyl)pyrrolidine

1-propyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 129237774) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-propyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-propyl-3-(trifluoromethyl)pyrrolidine
PubChem CID129237774
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-propyl-3-(trifluoromethyl)pyrrolidine
SMILESCCCN1CCC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h7H,2-6H2,1H3
InChIKeyYGIHTEAKXMAPJY-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-propyl-3-(trifluoromethyl)pyrrolidine (CID 129237774) is 1-propyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-propyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-propyl-3-(trifluoromethyl)pyrrolidine is CCCN1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-propyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is YGIHTEAKXMAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-2-4-12-5-3-7(6-12)8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 1-propyl-3-(trifluoromethyl)pyrrolidine?
1-propyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 129237774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).