(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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Related Compounds

2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 142510432
2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 137387494
2-(methylamino)-7-propan-2-ylspiro[3.4]octan-8-ol
CID 160537799
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 153329609
4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
CID 56884134
[(3R)-3-aminopiperidin-1-yl]-(2,2-difluorocyclopropyl)methanone;hydrochloride
CID 165368966
[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 170075818
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025

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).