1-(2,3,3-trifluoropropyl)pyrrolidine

C7H12F3N — CID 69399431

IUPAC1-(2,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)C(F)CN1CCCC1
InChIInChI=1S/C7H12F3N/c8-6(7(9)10)5-11-3-1-2-4-11/h6-7H,1-5H2
InChIKeyKFQROTGSBFJXOE-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.69
Rot. Bonds3

About 1-(2,3,3-trifluoropropyl)pyrrolidine

1-(2,3,3-trifluoropropyl)pyrrolidine (PubChem CID 69399431) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(2,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3,3-trifluoropropyl)pyrrolidine
PubChem CID69399431
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-(2,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)C(F)CN1CCCC1
InChIInChI=1S/C7H12F3N/c8-6(7(9)10)5-11-3-1-2-4-11/h6-7H,1-5H2
InChIKeyKFQROTGSBFJXOE-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 1-(2,3,3-trifluoropropyl)pyrrolidine (CID 69399431) is 1-(2,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 1-(2,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 1-(2,3,3-trifluoropropyl)pyrrolidine is FC(F)C(F)CN1CCCC1.
What is the InChIKey of 1-(2,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is KFQROTGSBFJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-6(7(9)10)5-11-3-1-2-4-11/h6-7H,1-5H2.
What are the key properties of 1-(2,3,3-trifluoropropyl)pyrrolidine?
1-(2,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 69399431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).