N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide

C11H17F2NO — CID 166170306

IUPACN-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H17F2NO/c1-7(2)9(15)14-8-3-10(4-8)5-11(12,13)6-10/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyOPXHMPPKASSCGX-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.34
Rot. Bonds2

About N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide

N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide (PubChem CID 166170306) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
PubChem CID166170306
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H17F2NO/c1-7(2)9(15)14-8-3-10(4-8)5-11(12,13)6-10/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyOPXHMPPKASSCGX-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[3.3]heptan-6-yl)-2-methylpropanamide?
The IUPAC name of N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide (CID 166170306) is N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide is CC(C)C(=O)NC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide?
The InChIKey is OPXHMPPKASSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-7(2)9(15)14-8-3-10(4-8)5-11(12,13)6-10/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide?
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide 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[3.3]heptan-6-yl)-2-methylpropanamide is sourced from PubChem (CID 166170306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).