4-(trifluoromethoxy)pyrrolidin-3-amine

C5H9F3N2O — CID 137488658

IUPAC4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESNC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2
InChIKeyICJRQMXJOAAVLA-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.18
Rot. Bonds1

About 4-(trifluoromethoxy)pyrrolidin-3-amine

4-(trifluoromethoxy)pyrrolidin-3-amine (PubChem CID 137488658) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyrrolidin-3-amine
PubChem CID137488658
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESNC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2
InChIKeyICJRQMXJOAAVLA-UHFFFAOYSA-N
XLogP-0.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)pyrrolidin-3-amine?
The IUPAC name of 4-(trifluoromethoxy)pyrrolidin-3-amine (CID 137488658) is 4-(trifluoromethoxy)pyrrolidin-3-amine.
What is the SMILES notation for 4-(trifluoromethoxy)pyrrolidin-3-amine?
The canonical SMILES for 4-(trifluoromethoxy)pyrrolidin-3-amine is NC1CNCC1OC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)pyrrolidin-3-amine?
The InChIKey is ICJRQMXJOAAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2.
What are the key properties of 4-(trifluoromethoxy)pyrrolidin-3-amine?
4-(trifluoromethoxy)pyrrolidin-3-amine has a molecular weight of 170.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 137488658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).