N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

C16H19F2NO3 — CID 112522483

IUPACN-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19F2NO3/c17-13-2-1-3-14(18)12(13)10-19-15(20)11-4-6-16(7-5-11)21-8-9-22-16/h1-3,11H,4-10H2,(H,19,20)
InChIKeyAQBPWAKYTXBHMZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.51
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112522483) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112522483
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19F2NO3/c17-13-2-1-3-14(18)12(13)10-19-15(20)11-4-6-16(7-5-11)21-8-9-22-16/h1-3,11H,4-10H2,(H,19,20)
InChIKeyAQBPWAKYTXBHMZ-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112522483) is N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(NCc1c(F)cccc1F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is AQBPWAKYTXBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c17-13-2-1-3-14(18)12(13)10-19-15(20)11-4-6-16(7-5-11)21-8-9-22-16/h1-3,11H,4-10H2,(H,19,20).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112522483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).