N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide

C11H18FNO — CID 67893402

IUPACN-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide
SMILESCCN(C(=O)C=CF)C1CCCCC1
InChIInChI=1S/C11H18FNO/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3
InChIKeyBTQMLSOVKFAISK-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.65
Rot. Bonds3

About N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide

N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide (PubChem CID 67893402) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide
PubChem CID67893402
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide
SMILESCCN(C(=O)C=CF)C1CCCCC1
InChIInChI=1S/C11H18FNO/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3
InChIKeyBTQMLSOVKFAISK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide (CID 67893402) is N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide is CCN(C(=O)C=CF)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide?
The InChIKey is BTQMLSOVKFAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide?
N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide has a molecular weight of 199.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide is sourced from PubChem (CID 67893402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).