4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

C10H17F3N2O — CID 66392456

IUPAC4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESNCCC(N1CC2CCC(C1)O2)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(3-4-14)15-5-7-1-2-8(6-15)16-7/h7-9H,1-6,14H2
InChIKeyYPROZFXCVCFLBH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.13
Rot. Bonds3

About 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (PubChem CID 66392456) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
PubChem CID66392456
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESNCCC(N1CC2CCC(C1)O2)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(3-4-14)15-5-7-1-2-8(6-15)16-7/h7-9H,1-6,14H2
InChIKeyYPROZFXCVCFLBH-UHFFFAOYSA-N
XLogP1.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.13
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (CID 66392456) is 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is NCCC(N1CC2CCC(C1)O2)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The InChIKey is YPROZFXCVCFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)9(3-4-14)15-5-7-1-2-8(6-15)16-7/h7-9H,1-6,14H2.
What are the key properties of 4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
4,4,4-trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine has a molecular weight of 238.25 g/mol, XLogP of 1.13, 3 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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is sourced from PubChem (CID 66392456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).