1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine

C12H17F3N2O — CID 114271770

IUPAC1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O/c1-8(16)11(10-3-2-6-18-10)17-5-4-9(7-17)12(13,14)15/h2-3,6,8-9,11H,4-5,7,16H2,1H3
InChIKeyLMWMJZGSOZINRE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.55
Rot. Bonds3

About 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine

1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine (PubChem CID 114271770) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
PubChem CID114271770
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O/c1-8(16)11(10-3-2-6-18-10)17-5-4-9(7-17)12(13,14)15/h2-3,6,8-9,11H,4-5,7,16H2,1H3
InChIKeyLMWMJZGSOZINRE-UHFFFAOYSA-N
XLogP2.55
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine (CID 114271770) is 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine is CC(N)C(c1ccco1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The InChIKey is LMWMJZGSOZINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(16)11(10-3-2-6-18-10)17-5-4-9(7-17)12(13,14)15/h2-3,6,8-9,11H,4-5,7,16H2,1H3.
What are the key properties of 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine is sourced from PubChem (CID 114271770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).