3-(trifluoromethyl)pyrrolidin-3-amine

C5H9F3N2 — CID 90066320

IUPAC3-(trifluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4(9)1-2-10-3-4/h10H,1-3,9H2
InChIKeyKFICVHUKPSZLPU-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.24
Rot. Bonds

About 3-(trifluoromethyl)pyrrolidin-3-amine

3-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 90066320) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID90066320
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name3-(trifluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4(9)1-2-10-3-4/h10H,1-3,9H2
InChIKeyKFICVHUKPSZLPU-UHFFFAOYSA-N
XLogP0.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-amine (CID 90066320) is 3-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidin-3-amine is NC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is KFICVHUKPSZLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)4(9)1-2-10-3-4/h10H,1-3,9H2.
What are the key properties of 3-(trifluoromethyl)pyrrolidin-3-amine?
3-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 154.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 90066320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).