N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide

C20H31F2NO — CID 155036919

IUPACN-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide
SMILESC=C(CCC(F)(F)C(CCC)NC(C)=O)C1CC2=C(C1)C2C(C)C
InChIInChI=1S/C20H31F2NO/c1-6-7-18(23-14(5)24)20(21,22)9-8-13(4)15-10-16-17(11-15)19(16)12(2)3/h12,15,18-19H,4,6-11H2,1-3,5H3,(H,23,24)
InChIKeyGDEFOQAIHBQCAQ-UHFFFAOYSA-N
MW339.47 g/mol
LogP5.26
Rot. Bonds9

About N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide

N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide (PubChem CID 155036919) has the molecular formula C20H31F2NO and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide.

Molecular Properties

Compound NameN-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide
PubChem CID155036919
Molecular FormulaC20H31F2NO
Molecular Weight339.47 g/mol
Exact Mass339.24
IUPAC NameN-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide
SMILESC=C(CCC(F)(F)C(CCC)NC(C)=O)C1CC2=C(C1)C2C(C)C
InChIInChI=1S/C20H31F2NO/c1-6-7-18(23-14(5)24)20(21,22)9-8-13(4)15-10-16-17(11-15)19(16)12(2)3/h12,15,18-19H,4,6-11H2,1-3,5H3,(H,23,24)
InChIKeyGDEFOQAIHBQCAQ-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.47
LogP ≤ 55.26
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-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide?
The IUPAC name of N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide (CID 155036919) is N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide.
What is the SMILES notation for N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide?
The canonical SMILES for N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide is C=C(CCC(F)(F)C(CCC)NC(C)=O)C1CC2=C(C1)C2C(C)C.
What is the InChIKey of N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide?
The InChIKey is GDEFOQAIHBQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2NO/c1-6-7-18(23-14(5)24)20(21,22)9-8-13(4)15-10-16-17(11-15)19(16)12(2)3/h12,15,18-19H,4,6-11H2,1-3,5H3,(H,23,24).
What are the key properties of N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide?
N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide has a molecular weight of 339.47 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide is sourced from PubChem (CID 155036919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).