(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone

C16H25F2NO2 — CID 137386971

IUPAC(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)C1CCC2(CCN(C(=O)C3CC3(F)F)CC2)C1O
InChIInChI=1S/C16H25F2NO2/c1-10(2)11-3-4-15(13(11)20)5-7-19(8-6-15)14(21)12-9-16(12,17)18/h10-13,20H,3-9H2,1-2H3
InChIKeyLPGDMZSDLBYEGF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.68
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone

(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 137386971) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID137386971
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)C1CCC2(CCN(C(=O)C3CC3(F)F)CC2)C1O
InChIInChI=1S/C16H25F2NO2/c1-10(2)11-3-4-15(13(11)20)5-7-19(8-6-15)14(21)12-9-16(12,17)18/h10-13,20H,3-9H2,1-2H3
InChIKeyLPGDMZSDLBYEGF-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone (CID 137386971) is (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone is CC(C)C1CCC2(CCN(C(=O)C3CC3(F)F)CC2)C1O.
What is the InChIKey of (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LPGDMZSDLBYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-10(2)11-3-4-15(13(11)20)5-7-19(8-6-15)14(21)12-9-16(12,17)18/h10-13,20H,3-9H2,1-2H3.
What are the key properties of (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone?
(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 301.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 137386971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).