2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine

C12H20F3NO2 — CID 103580678

IUPAC2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESFC(F)(F)COCCCNC1CCOC1C1CC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-17-6-1-5-16-10-4-7-18-11(10)9-2-3-9/h9-11,16H,1-8H2
InChIKeyVTWXLHPAMFVYJN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.11
Rot. Bonds7

About 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine

2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (PubChem CID 103580678) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
PubChem CID103580678
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESFC(F)(F)COCCCNC1CCOC1C1CC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-17-6-1-5-16-10-4-7-18-11(10)9-2-3-9/h9-11,16H,1-8H2
InChIKeyVTWXLHPAMFVYJN-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.11
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 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (CID 103580678) is 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is FC(F)(F)COCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The InChIKey is VTWXLHPAMFVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)8-17-6-1-5-16-10-4-7-18-11(10)9-2-3-9/h9-11,16H,1-8H2.
What are the key properties of 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine has a molecular weight of 267.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is sourced from PubChem (CID 103580678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).