(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C16H25F2NO3 — CID 131650244

IUPAC(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCCC1CCOC12CCN(C(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C16H25F2NO3/c1-21-8-2-13-3-9-22-15(13)4-6-19(7-5-15)14(20)12-10-16(17,18)11-12/h12-13H,2-11H2,1H3
InChIKeyMOBZNAKTVJVZSP-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.47
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 131650244) has the molecular formula C16H25F2NO3 and a molecular weight of 317.38 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID131650244
Molecular FormulaC16H25F2NO3
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCCC1CCOC12CCN(C(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C16H25F2NO3/c1-21-8-2-13-3-9-22-15(13)4-6-19(7-5-15)14(20)12-10-16(17,18)11-12/h12-13H,2-11H2,1H3
InChIKeyMOBZNAKTVJVZSP-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluorocyclobutyl)-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155828081
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
cyclopent-3-en-1-yl-[(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124787497
cyclopent-3-en-1-yl-[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131656162
1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
CID 124822465
2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124795904
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
CID 124788983
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
cyclopropyl-[(4S)-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124790316
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737
4-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859647

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 131650244) is (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COCCC1CCOC12CCN(C(=O)C1CC(F)(F)C1)CC2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is MOBZNAKTVJVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO3/c1-21-8-2-13-3-9-22-15(13)4-6-19(7-5-15)14(20)12-10-16(17,18)11-12/h12-13H,2-11H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 317.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131650244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).