(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate

C18H23F3N2O4 — CID 135241529

IUPAC(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(OC(=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2)C(O)F
InChIInChI=1S/C18H23F3N2O4/c1-11(16(21)24)26-17(25)23-6-4-18(5-7-23)8-13(9-18)27-12-2-3-14(15(19)20)22-10-12/h2-3,10-11,13,15-16,24H,4-9H2,1H3
InChIKeyPSDPANWLXDJQLV-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.46
Rot. Bonds5

About (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate

(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 135241529) has the molecular formula C18H23F3N2O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID135241529
Molecular FormulaC18H23F3N2O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC Name(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(OC(=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2)C(O)F
InChIInChI=1S/C18H23F3N2O4/c1-11(16(21)24)26-17(25)23-6-4-18(5-7-23)8-13(9-18)27-12-2-3-14(15(19)20)22-10-12/h2-3,10-11,13,15-16,24H,4-9H2,1H3
InChIKeyPSDPANWLXDJQLV-UHFFFAOYSA-N
XLogP3.46
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate (CID 135241529) is (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate is CC(OC(=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2)C(O)F.
What is the InChIKey of (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is PSDPANWLXDJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4/c1-11(16(21)24)26-17(25)23-6-4-18(5-7-23)8-13(9-18)27-12-2-3-14(15(19)20)22-10-12/h2-3,10-11,13,15-16,24H,4-9H2,1H3.
What are the key properties of (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
(1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-hydroxypropan-2-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 135241529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).