4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine

C10H19F3N2O — CID 64569234

IUPAC4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
SMILESCOCC1CCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-8-3-5-15(6-8)9(2-4-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLHTQXBFXOJWQHZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds5

About 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine

4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine (PubChem CID 64569234) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
PubChem CID64569234
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
SMILESCOCC1CCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-8-3-5-15(6-8)9(2-4-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLHTQXBFXOJWQHZ-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine (CID 64569234) is 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine is COCC1CCN(C(CCN)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine?
The InChIKey is LHTQXBFXOJWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-8-3-5-15(6-8)9(2-4-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine?
4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine is sourced from PubChem (CID 64569234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).