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

C11H20F3NO2 — CID 82794789

IUPAC2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCC(CO)(COCCCC(F)(F)F)NC1CC1
InChIInChI=1S/C11H20F3NO2/c1-10(7-16,15-9-3-4-9)8-17-6-2-5-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyIGYCWDZWVOOZPI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds8

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

2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 82794789) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID82794789
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCC(CO)(COCCCC(F)(F)F)NC1CC1
InChIInChI=1S/C11H20F3NO2/c1-10(7-16,15-9-3-4-9)8-17-6-2-5-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyIGYCWDZWVOOZPI-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
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)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol (CID 82794789) is 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol is CC(CO)(COCCCC(F)(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is IGYCWDZWVOOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(7-16,15-9-3-4-9)8-17-6-2-5-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 82794789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).