N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide

C12H19F2NO3 — CID 164651542

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
SMILESCCC(F)(F)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19F2NO3/c1-2-12(13,14)10(16)15-9-3-5-11(6-4-9)17-7-8-18-11/h9H,2-8H2,1H3,(H,15,16)
InChIKeyKJQFRFMBGZZJEZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.83
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide (PubChem CID 164651542) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
PubChem CID164651542
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
SMILESCCC(F)(F)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19F2NO3/c1-2-12(13,14)10(16)15-9-3-5-11(6-4-9)17-7-8-18-11/h9H,2-8H2,1H3,(H,15,16)
InChIKeyKJQFRFMBGZZJEZ-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
CID 78918296
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 87017401
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103460691
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
CID 61211074
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropan-2-ol
CID 63239594
N-(2-ethyl-2-methylsulfanylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104801490
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide (CID 164651542) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide is CCC(F)(F)C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide?
The InChIKey is KJQFRFMBGZZJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c1-2-12(13,14)10(16)15-9-3-5-11(6-4-9)17-7-8-18-11/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide has a molecular weight of 263.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide is sourced from PubChem (CID 164651542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).