4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide

C13H21F2NO2 — CID 113340448

IUPAC4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO2/c1-10(2)9-18-8-7-16-12(17)11-3-5-13(14,15)6-4-11/h11H,1,3-9H2,2H3,(H,16,17)
InChIKeyQEBBOFKNPPCFKU-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.52
Rot. Bonds6

About 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 113340448) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID113340448
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2NO2/c1-10(2)9-18-8-7-16-12(17)11-3-5-13(14,15)6-4-11/h11H,1,3-9H2,2H3,(H,16,17)
InChIKeyQEBBOFKNPPCFKU-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (CID 113340448) is 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is C=C(C)COCCNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QEBBOFKNPPCFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-10(2)9-18-8-7-16-12(17)11-3-5-13(14,15)6-4-11/h11H,1,3-9H2,2H3,(H,16,17).
What are the key properties of 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113340448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).