N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide

C12H20FNO2 — CID 59845705

IUPACN-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCC2(CC1)CC2(C)F
InChIInChI=1S/C12H20FNO2/c1-9(15)14-8-12(16)5-3-11(4-6-12)7-10(11,2)13/h16H,3-8H2,1-2H3,(H,14,15)
InChIKeyGMEHZYBBMSTKGD-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.55
Rot. Bonds2

About N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide

N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide (PubChem CID 59845705) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide
PubChem CID59845705
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC NameN-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCC2(CC1)CC2(C)F
InChIInChI=1S/C12H20FNO2/c1-9(15)14-8-12(16)5-3-11(4-6-12)7-10(11,2)13/h16H,3-8H2,1-2H3,(H,14,15)
InChIKeyGMEHZYBBMSTKGD-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide?
The IUPAC name of N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide (CID 59845705) is N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide?
The canonical SMILES for N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide is CC(=O)NCC1(O)CCC2(CC1)CC2(C)F.
What is the InChIKey of N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide?
The InChIKey is GMEHZYBBMSTKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-9(15)14-8-12(16)5-3-11(4-6-12)7-10(11,2)13/h16H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide?
N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide has a molecular weight of 229.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-hydroxy-2-methylspiro[2.5]octan-6-yl)methyl]acetamide is sourced from PubChem (CID 59845705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).