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

C8H11F3N2 — CID 64555041

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)3-5-13-4-1-2-7(13)6-12/h7H,1-5H2
InChIKeyOFPITSLCJGZPLW-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.93
Rot. Bonds2

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

1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile (PubChem CID 64555041) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile
PubChem CID64555041
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1CCC(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)3-5-13-4-1-2-7(13)6-12/h7H,1-5H2
InChIKeyOFPITSLCJGZPLW-UHFFFAOYSA-N
XLogP1.93
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile (CID 64555041) is 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile is N#CC1CCCN1CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile?
The InChIKey is OFPITSLCJGZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-8(10,11)3-5-13-4-1-2-7(13)6-12/h7H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile?
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 64555041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).