3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H18F3NO — CID 63952546

IUPAC3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCC1CCCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-14-6-3-5-9-4-1-2-7-15-9/h9,14H,1-8H2
InChIKeyXTFKBTGGJHHNHM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63952546) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63952546
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCC1CCCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-14-6-3-5-9-4-1-2-7-15-9/h9,14H,1-8H2
InChIKeyXTFKBTGGJHHNHM-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63952546) is 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is FC(F)(F)CNCCCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is XTFKBTGGJHHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-14-6-3-5-9-4-1-2-7-15-9/h9,14H,1-8H2.
What are the key properties of 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63952546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).