N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide

C8H11F2NO — CID 131097754

IUPACN-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide
SMILESO=C(NC1CC2CC2C1)C(F)F
InChIInChI=1S/C8H11F2NO/c9-7(10)8(12)11-6-2-4-1-5(4)3-6/h4-7H,1-3H2,(H,11,12)
InChIKeyQGZHQNTXGOGBQR-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.17
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide

N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide (PubChem CID 131097754) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide
PubChem CID131097754
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide
SMILESO=C(NC1CC2CC2C1)C(F)F
InChIInChI=1S/C8H11F2NO/c9-7(10)8(12)11-6-2-4-1-5(4)3-6/h4-7H,1-3H2,(H,11,12)
InChIKeyQGZHQNTXGOGBQR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide (CID 131097754) is N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide is O=C(NC1CC2CC2C1)C(F)F.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide?
The InChIKey is QGZHQNTXGOGBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-7(10)8(12)11-6-2-4-1-5(4)3-6/h4-7H,1-3H2,(H,11,12).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide?
N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide has a molecular weight of 175.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide is sourced from PubChem (CID 131097754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).