3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid

C9H13F2NO4 — CID 165467220

IUPAC3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN1CCC2(C1)OCCO2
InChIInChI=1S/C9H13F2NO4/c10-9(11,7(13)14)6-12-2-1-8(5-12)15-3-4-16-8/h1-6H2,(H,13,14)
InChIKeyNFFVJRVCUUXSGS-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.16
Rot. Bonds3

About 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid

3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid (PubChem CID 165467220) has the molecular formula C9H13F2NO4 and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
PubChem CID165467220
Molecular FormulaC9H13F2NO4
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN1CCC2(C1)OCCO2
InChIInChI=1S/C9H13F2NO4/c10-9(11,7(13)14)6-12-2-1-8(5-12)15-3-4-16-8/h1-6H2,(H,13,14)
InChIKeyNFFVJRVCUUXSGS-UHFFFAOYSA-N
XLogP0.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131182289
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1-pyrrolidin-1-ylethanone
CID 131182071
2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid
CID 84656756
7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130964518
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 130985561
(2S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobutan-2-ol
CID 40549331
7-(oxan-4-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131142357
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropane-2-thiol
CID 15448993
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid (CID 165467220) is 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CN1CCC2(C1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid?
The InChIKey is NFFVJRVCUUXSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO4/c10-9(11,7(13)14)6-12-2-1-8(5-12)15-3-4-16-8/h1-6H2,(H,13,14).
What are the key properties of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid?
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid has a molecular weight of 237.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 165467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).