N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide

C10H12F5NO — CID 114038195

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO/c11-9(12,10(13,14)15)8(17)16-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,16,17)
InChIKeyCPZLCGSNRIWBKZ-UHFFFAOYSA-N
MW257.20 g/mol
LogP2.66
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide

N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038195) has the molecular formula C10H12F5NO and a molecular weight of 257.20 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038195
Molecular FormulaC10H12F5NO
Molecular Weight257.20 g/mol
Exact Mass257.08
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO/c11-9(12,10(13,14)15)8(17)16-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,16,17)
InChIKeyCPZLCGSNRIWBKZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide (CID 114038195) is N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide is O=C(NCC1CC=CCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is CPZLCGSNRIWBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5NO/c11-9(12,10(13,14)15)8(17)16-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,16,17).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide?
N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 257.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).