(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C14H21F2NO3 — CID 97419661

IUPAC(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)C3CC(F)(F)C3)C2)C1
InChIInChI=1S/C14H21F2NO3/c1-19-11-7-13(20-8-11)3-2-4-17(9-13)12(18)10-5-14(15,16)6-10/h10-11H,2-9H2,1H3/t11-,13-/m0/s1
InChIKeyCHLMCDHSTOEKMY-AAEUAGOBSA-N
MW289.32 g/mol
LogP1.83
Rot. Bonds2

About (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97419661) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97419661
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)C3CC(F)(F)C3)C2)C1
InChIInChI=1S/C14H21F2NO3/c1-19-11-7-13(20-8-11)3-2-4-17(9-13)12(18)10-5-14(15,16)6-10/h10-11H,2-9H2,1H3/t11-,13-/m0/s1
InChIKeyCHLMCDHSTOEKMY-AAEUAGOBSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
[(3R,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131688625
(2-fluoro-4-pyridinyl)-[(3S,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867340
(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone
CID 134071274
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
CID 97418772
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97419661) is (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CO[C@@H]1CO[C@@]2(CCCN(C(=O)C3CC(F)(F)C3)C2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is CHLMCDHSTOEKMY-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-19-11-7-13(20-8-11)3-2-4-17(9-13)12(18)10-5-14(15,16)6-10/h10-11H,2-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 289.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97419661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).