N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine

C11H21F3N2 — CID 60854965

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-3-9(2)15-6-10-4-5-16(7-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyXPTQPCIEESYAEP-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine (PubChem CID 60854965) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
PubChem CID60854965
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-3-9(2)15-6-10-4-5-16(7-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyXPTQPCIEESYAEP-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine (CID 60854965) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine is CCC(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine?
The InChIKey is XPTQPCIEESYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-9(2)15-6-10-4-5-16(7-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 60854965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).