3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol

C8H16F3NO2 — CID 82790040

IUPAC3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol
SMILESCC(N)C(CO)OCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(12)7(5-13)14-4-2-3-8(9,10)11/h6-7,13H,2-5,12H2,1H3
InChIKeyQDSIPIYFRZRPRN-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.05
Rot. Bonds6

About 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol

3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol (PubChem CID 82790040) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol
PubChem CID82790040
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol
SMILESCC(N)C(CO)OCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(12)7(5-13)14-4-2-3-8(9,10)11/h6-7,13H,2-5,12H2,1H3
InChIKeyQDSIPIYFRZRPRN-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.05
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 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol?
The IUPAC name of 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol (CID 82790040) is 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol.
What is the SMILES notation for 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol?
The canonical SMILES for 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol is CC(N)C(CO)OCCCC(F)(F)F.
What is the InChIKey of 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol?
The InChIKey is QDSIPIYFRZRPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(12)7(5-13)14-4-2-3-8(9,10)11/h6-7,13H,2-5,12H2,1H3.
What are the key properties of 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol?
3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4,4,4-trifluorobutoxy)butan-1-ol is sourced from PubChem (CID 82790040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).