N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide

C11H17F2NO2 — CID 70282044

IUPACN-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(15)14-7-10(16)4-2-9(3-5-10)6-11(9,12)13/h16H,2-7H2,1H3,(H,14,15)
InChIKeyVURZSUUVHQFPRG-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.45
Rot. Bonds2

About N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide

N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide (PubChem CID 70282044) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide
PubChem CID70282044
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(15)14-7-10(16)4-2-9(3-5-10)6-11(9,12)13/h16H,2-7H2,1H3,(H,14,15)
InChIKeyVURZSUUVHQFPRG-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide?
The IUPAC name of N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide (CID 70282044) is N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide?
The canonical SMILES for N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide is CC(=O)NCC1(O)CCC2(CC1)CC2(F)F.
What is the InChIKey of N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide?
The InChIKey is VURZSUUVHQFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-8(15)14-7-10(16)4-2-9(3-5-10)6-11(9,12)13/h16H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide?
N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide has a molecular weight of 233.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide is sourced from PubChem (CID 70282044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).