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

C12H21F2NO2 — CID 113352184

IUPAC3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)F)C12CCC2
InChIInChI=1S/C12H21F2NO2/c1-2-17-10-6-9(12(10)4-3-5-12)15-7-8(16)11(13)14/h8-11,15-16H,2-7H2,1H3
InChIKeyMVHWYRNNFLLMOT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.55
Rot. Bonds6

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

3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 113352184) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID113352184
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)F)C12CCC2
InChIInChI=1S/C12H21F2NO2/c1-2-17-10-6-9(12(10)4-3-5-12)15-7-8(16)11(13)14/h8-11,15-16H,2-7H2,1H3
InChIKeyMVHWYRNNFLLMOT-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.55
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-difluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol (CID 113352184) is 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol is CCOC1CC(NCC(O)C(F)F)C12CCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is MVHWYRNNFLLMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-17-10-6-9(12(10)4-3-5-12)15-7-8(16)11(13)14/h8-11,15-16H,2-7H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol?
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 249.30 g/mol, XLogP of 1.55, 6 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-difluoropropan-2-ol is sourced from PubChem (CID 113352184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).