3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol

C12H20F3NO2 — CID 113352073

IUPAC3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C12CCC2
InChIInChI=1S/C12H20F3NO2/c1-2-18-10-6-8(11(10)4-3-5-11)16-7-9(17)12(13,14)15/h8-10,16-17H,2-7H2,1H3
InChIKeyOTTXQDUJSDILNM-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.85
Rot. Bonds5

About 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 113352073) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID113352073
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C12CCC2
InChIInChI=1S/C12H20F3NO2/c1-2-18-10-6-8(11(10)4-3-5-11)16-7-9(17)12(13,14)15/h8-10,16-17H,2-7H2,1H3
InChIKeyOTTXQDUJSDILNM-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 113352073) is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol is CCOC1CC(NCC(O)C(F)(F)F)C12CCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OTTXQDUJSDILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-18-10-6-8(11(10)4-3-5-11)16-7-9(17)12(13,14)15/h8-10,16-17H,2-7H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 267.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113352073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).