1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol

C9H18F3NO2 — CID 66275017

IUPAC1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
SMILESCC(C)NCC(O)COC(C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-6(2)13-4-8(14)5-15-7(3)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3
InChIKeyIZMGEOGYLZVYQC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.31
Rot. Bonds6

About 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol

1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol (PubChem CID 66275017) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
PubChem CID66275017
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
SMILESCC(C)NCC(O)COC(C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-6(2)13-4-8(14)5-15-7(3)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3
InChIKeyIZMGEOGYLZVYQC-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol (CID 66275017) is 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol is CC(C)NCC(O)COC(C)C(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The InChIKey is IZMGEOGYLZVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-6(2)13-4-8(14)5-15-7(3)9(10,11)12/h6-8,13-14H,4-5H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol has a molecular weight of 229.24 g/mol, XLogP of 1.31, 6 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-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 66275017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).