2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol

C10H18F3NO2 — CID 82793574

IUPAC2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESOCC(COCCCC(F)(F)F)NC1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(6-15)14-8-2-3-8/h8-9,14-15H,1-7H2
InChIKeyCXQBRTOGIHZYSZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.46
Rot. Bonds8

About 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol

2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 82793574) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID82793574
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESOCC(COCCCC(F)(F)F)NC1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(6-15)14-8-2-3-8/h8-9,14-15H,1-7H2
InChIKeyCXQBRTOGIHZYSZ-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol (CID 82793574) is 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol is OCC(COCCCC(F)(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is CXQBRTOGIHZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(6-15)14-8-2-3-8/h8-9,14-15H,1-7H2.
What are the key properties of 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 82793574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).