N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine

C12H22F3NO2 — CID 82958605

IUPACN-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCCC(F)(F)F)O1
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-7-10-3-4-11(18-10)8-17-6-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyWTIXFCRCSJIFMO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds7

About N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 82958605) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID82958605
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCCC(F)(F)F)O1
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-7-10-3-4-11(18-10)8-17-6-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyWTIXFCRCSJIFMO-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine (CID 82958605) is N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COCCC(F)(F)F)O1.
What is the InChIKey of N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is WTIXFCRCSJIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)16-7-10-3-4-11(18-10)8-17-6-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 82958605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).