1-ethyl-2-(trifluoromethyl)pyrrolidine

C7H12F3N — CID 59535417

IUPAC1-ethyl-2-(trifluoromethyl)pyrrolidine
SMILESCCN1CCCC1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-11-5-3-4-6(11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyBSAVIWMIVPAWBU-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds1

About 1-ethyl-2-(trifluoromethyl)pyrrolidine

1-ethyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 59535417) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-ethyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-(trifluoromethyl)pyrrolidine
PubChem CID59535417
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-ethyl-2-(trifluoromethyl)pyrrolidine
SMILESCCN1CCCC1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-11-5-3-4-6(11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyBSAVIWMIVPAWBU-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-ethyl-2-(trifluoromethyl)pyrrolidine (CID 59535417) is 1-ethyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-ethyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-ethyl-2-(trifluoromethyl)pyrrolidine is CCN1CCCC1C(F)(F)F.
What is the InChIKey of 1-ethyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is BSAVIWMIVPAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-2-11-5-3-4-6(11)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-ethyl-2-(trifluoromethyl)pyrrolidine?
1-ethyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 59535417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).