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

C11H17F2NO — CID 59845703

IUPACN-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO/c1-8(15)14-6-9-2-4-10(5-3-9)7-11(10,12)13/h9H,2-7H2,1H3,(H,14,15)
InChIKeyIWASSYYCPVAKLE-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.34
Rot. Bonds2

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

N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide (PubChem CID 59845703) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide
PubChem CID59845703
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H17F2NO/c1-8(15)14-6-9-2-4-10(5-3-9)7-11(10,12)13/h9H,2-7H2,1H3,(H,14,15)
InChIKeyIWASSYYCPVAKLE-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide?
The IUPAC name of N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide (CID 59845703) is N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide?
The canonical SMILES for N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide is CC(=O)NCC1CCC2(CC1)CC2(F)F.
What is the InChIKey of N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide?
The InChIKey is IWASSYYCPVAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8(15)14-6-9-2-4-10(5-3-9)7-11(10,12)13/h9H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide?
N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide has a molecular weight of 217.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide is sourced from PubChem (CID 59845703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).