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

C10H20F3NO2 — CID 82793573

IUPAC2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCC(C)NC(CO)COCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)14-9(6-15)7-16-5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyJFBUGPSHWUYYPW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.70
Rot. Bonds8

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

2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 82793573) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID82793573
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCC(C)NC(CO)COCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)14-9(6-15)7-16-5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyJFBUGPSHWUYYPW-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.70
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-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol (CID 82793573) is 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol is CC(C)NC(CO)COCCCC(F)(F)F.
What is the InChIKey of 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is JFBUGPSHWUYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(2)14-9(6-15)7-16-5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol?
2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 82793573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).