3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine

C10H17F3N2O — CID 103366390

IUPAC3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine
SMILESNCC(CN1CC2CCC(C1)O2)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7(3-14)4-15-5-8-1-2-9(6-15)16-8/h7-9H,1-6,14H2
InChIKeyRHAQFJJPBJVAIQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.99
Rot. Bonds3

About 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine (PubChem CID 103366390) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine
PubChem CID103366390
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine
SMILESNCC(CN1CC2CCC(C1)O2)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7(3-14)4-15-5-8-1-2-9(6-15)16-8/h7-9H,1-6,14H2
InChIKeyRHAQFJJPBJVAIQ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765487
2-methyl-N-[[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62426303
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62426809
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62427451
[5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine
CID 62967071
N-(oxolan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850229
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 65530159
N-methyl-1-[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-2-yl]methanamine
CID 65530339
[5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]oxolan-2-yl]methanamine
CID 65530346
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 65530541
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-2-yl]methanamine
CID 65531125
2-methyl-N-[[5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 65531875

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine (CID 103366390) is 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine is NCC(CN1CC2CCC(C1)O2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine?
The InChIKey is RHAQFJJPBJVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7(3-14)4-15-5-8-1-2-9(6-15)16-8/h7-9H,1-6,14H2.
What are the key properties of 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine has a molecular weight of 238.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 103366390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).