N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride

C10H15FN2O — CID 177455155

IUPACN-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride
SMILESN#CCCN(C(=O)F)C1CCCCC1
InChIInChI=1S/C10H15FN2O/c11-10(14)13(8-4-7-12)9-5-2-1-3-6-9/h9H,1-6,8H2
InChIKeyNZIKVFYQBBRFDD-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.62
Rot. Bonds3

About N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride

N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride (PubChem CID 177455155) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride
PubChem CID177455155
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC NameN-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride
SMILESN#CCCN(C(=O)F)C1CCCCC1
InChIInChI=1S/C10H15FN2O/c11-10(14)13(8-4-7-12)9-5-2-1-3-6-9/h9H,1-6,8H2
InChIKeyNZIKVFYQBBRFDD-UHFFFAOYSA-N
XLogP2.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
CID 54038097
N-cyclohexyl-N-methylcarbamoyl fluoride
CID 89000244
N-cyclohexyl-N-ethylcarbamoyl fluoride
CID 102596547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride?
The IUPAC name of N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride (CID 177455155) is N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride is N#CCCN(C(=O)F)C1CCCCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride?
The InChIKey is NZIKVFYQBBRFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-10(14)13(8-4-7-12)9-5-2-1-3-6-9/h9H,1-6,8H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride?
N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride has a molecular weight of 198.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride is sourced from PubChem (CID 177455155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).