1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

C11H21F4NO2 — CID 22975424

IUPAC1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESCC(C)N(CC(O)COC(F)(F)C(F)F)C(C)C
InChIInChI=1S/C11H21F4NO2/c1-7(2)16(8(3)4)5-9(17)6-18-11(14,15)10(12)13/h7-10,17H,5-6H2,1-4H3
InChIKeyKOWOYITXHWUTPE-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.34
Rot. Bonds8

About 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (PubChem CID 22975424) has the molecular formula C11H21F4NO2 and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
PubChem CID22975424
Molecular FormulaC11H21F4NO2
Molecular Weight275.29 g/mol
Exact Mass275.15
IUPAC Name1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESCC(C)N(CC(O)COC(F)(F)C(F)F)C(C)C
InChIInChI=1S/C11H21F4NO2/c1-7(2)16(8(3)4)5-9(17)6-18-11(14,15)10(12)13/h7-10,17H,5-6H2,1-4H3
InChIKeyKOWOYITXHWUTPE-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (CID 22975424) is 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is CC(C)N(CC(O)COC(F)(F)C(F)F)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The InChIKey is KOWOYITXHWUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO2/c1-7(2)16(8(3)4)5-9(17)6-18-11(14,15)10(12)13/h7-10,17H,5-6H2,1-4H3.
What are the key properties of 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol has a molecular weight of 275.29 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is sourced from PubChem (CID 22975424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).