1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C9H17F4NO2 — CID 43166268

IUPAC1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCC(C)NCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-6(2)14-3-7(15)4-16-5-9(12,13)8(10)11/h6-8,14-15H,3-5H2,1-2H3
InChIKeyQQVBTIATYWMFAR-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.26
Rot. Bonds8

About 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 43166268) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID43166268
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCC(C)NCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-6(2)14-3-7(15)4-16-5-9(12,13)8(10)11/h6-8,14-15H,3-5H2,1-2H3
InChIKeyQQVBTIATYWMFAR-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.26
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 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 43166268) is 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is CC(C)NCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is QQVBTIATYWMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-6(2)14-3-7(15)4-16-5-9(12,13)8(10)11/h6-8,14-15H,3-5H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 247.23 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 43166268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).