3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid

C10H16F3NO2 — CID 167737987

IUPAC3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CC(CC2CC2)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-7(1)5-8-3-4-9-6-8;3-2(4,5)1(6)7/h7-9H,1-6H2;(H,6,7)
InChIKeyFJZFTIKVCNLFGT-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.03
Rot. Bonds2

About 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid

3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 167737987) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID167737987
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CC(CC2CC2)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-7(1)5-8-3-4-9-6-8;3-2(4,5)1(6)7/h7-9H,1-6H2;(H,6,7)
InChIKeyFJZFTIKVCNLFGT-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid (CID 167737987) is 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid is C1CC(CC2CC2)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is FJZFTIKVCNLFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2HF3O2/c1-2-7(1)5-8-3-4-9-6-8;3-2(4,5)1(6)7/h7-9H,1-6H2;(H,6,7).
What are the key properties of 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167737987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).