N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide

C12H17F2NO — CID 126793826

IUPACN-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)NC1C=CCCC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16)
InChIKeyCVGHFCZTZSVNIK-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds3

About N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide

N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 126793826) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID126793826
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)NC1C=CCCC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16)
InChIKeyCVGHFCZTZSVNIK-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
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-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide (CID 126793826) is N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide is O=C(CC1CC(F)(F)C1)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is CVGHFCZTZSVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16).
What are the key properties of N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide?
N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 229.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 126793826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).