N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide

C9H13F2NO — CID 130608855

IUPACN-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide
SMILESO=C(NC1C2CCCCC21)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-7-5-3-1-2-4-6(5)7/h5-8H,1-4H2,(H,12,13)
InChIKeyRYWHOJQZTDWGEZ-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.56
Rot. Bonds2

About N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide

N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide (PubChem CID 130608855) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide
PubChem CID130608855
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide
SMILESO=C(NC1C2CCCCC21)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-7-5-3-1-2-4-6(5)7/h5-8H,1-4H2,(H,12,13)
InChIKeyRYWHOJQZTDWGEZ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide?
The IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide (CID 130608855) is N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide is O=C(NC1C2CCCCC21)C(F)F.
What is the InChIKey of N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide?
The InChIKey is RYWHOJQZTDWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)9(13)12-7-5-3-1-2-4-6(5)7/h5-8H,1-4H2,(H,12,13).
What are the key properties of N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide?
N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide has a molecular weight of 189.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.1.0]heptanyl)-2,2-difluoroacetamide is sourced from PubChem (CID 130608855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).