N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide

C8H11F2NO — CID 144845305

IUPACN-(2,2-difluorospiro[2.4]heptan-6-yl)formamide
SMILESO=CNC1CCC2(C1)CC2(F)F
InChIInChI=1S/C8H11F2NO/c9-8(10)4-7(8)2-1-6(3-7)11-5-12/h5-6H,1-4H2,(H,11,12)
InChIKeyKDQULMZCHSSLIJ-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.31
Rot. Bonds2

About N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide

N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide (PubChem CID 144845305) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide.

Molecular Properties

Compound NameN-(2,2-difluorospiro[2.4]heptan-6-yl)formamide
PubChem CID144845305
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(2,2-difluorospiro[2.4]heptan-6-yl)formamide
SMILESO=CNC1CCC2(C1)CC2(F)F
InChIInChI=1S/C8H11F2NO/c9-8(10)4-7(8)2-1-6(3-7)11-5-12/h5-6H,1-4H2,(H,11,12)
InChIKeyKDQULMZCHSSLIJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide?
The IUPAC name of N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide (CID 144845305) is N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide.
What is the SMILES notation for N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide?
The canonical SMILES for N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide is O=CNC1CCC2(C1)CC2(F)F.
What is the InChIKey of N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide?
The InChIKey is KDQULMZCHSSLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-8(10)4-7(8)2-1-6(3-7)11-5-12/h5-6H,1-4H2,(H,11,12).
What are the key properties of N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide?
N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide has a molecular weight of 175.18 g/mol, XLogP of 1.31, 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[2.4]heptan-6-yl)formamide is sourced from PubChem (CID 144845305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).