N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide

C11H15F2NO — CID 126783221

IUPACN-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CC=CCC1
InChIInChI=1S/C11H15F2NO/c12-11(13)6-9(7-11)14-10(15)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,14,15)
InChIKeyMUSOAXNBKVFSCP-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.26
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide

N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 126783221) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide
PubChem CID126783221
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CC=CCC1
InChIInChI=1S/C11H15F2NO/c12-11(13)6-9(7-11)14-10(15)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,14,15)
InChIKeyMUSOAXNBKVFSCP-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide (CID 126783221) is N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide is O=C(NC1CC(F)(F)C1)C1CC=CCC1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is MUSOAXNBKVFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)6-9(7-11)14-10(15)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,14,15).
What are the key properties of N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide?
N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 126783221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).