3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol

C8H15F4NO2 — CID 104840600

IUPAC3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO2/c1-2-5(13)6(3-14)15-4-8(11,12)7(9)10/h5-7,14H,2-4,13H2,1H3
InChIKeyHIXYTAJBPPKUBI-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.00
Rot. Bonds7

About 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol

3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (PubChem CID 104840600) has the molecular formula C8H15F4NO2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
PubChem CID104840600
Molecular FormulaC8H15F4NO2
Molecular Weight233.20 g/mol
Exact Mass233.10
IUPAC Name3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO2/c1-2-5(13)6(3-14)15-4-8(11,12)7(9)10/h5-7,14H,2-4,13H2,1H3
InChIKeyHIXYTAJBPPKUBI-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (CID 104840600) is 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is CCC(N)C(CO)OCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The InChIKey is HIXYTAJBPPKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO2/c1-2-5(13)6(3-14)15-4-8(11,12)7(9)10/h5-7,14H,2-4,13H2,1H3.
What are the key properties of 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol has a molecular weight of 233.20 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is sourced from PubChem (CID 104840600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).