N-cyclohexyl-N-ethylcarbamoyl fluoride

C9H16FNO — CID 102596547

IUPACN-cyclohexyl-N-ethylcarbamoyl fluoride
SMILESCCN(C(=O)F)C1CCCCC1
InChIInChI=1S/C9H16FNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGQQACLIPDQXWDB-UHFFFAOYSA-N
MW173.23 g/mol
LogP2.73
Rot. Bonds2

About N-cyclohexyl-N-ethylcarbamoyl fluoride

N-cyclohexyl-N-ethylcarbamoyl fluoride (PubChem CID 102596547) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylcarbamoyl fluoride.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylcarbamoyl fluoride
PubChem CID102596547
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-cyclohexyl-N-ethylcarbamoyl fluoride
SMILESCCN(C(=O)F)C1CCCCC1
InChIInChI=1S/C9H16FNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGQQACLIPDQXWDB-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylcarbamoyl fluoride?
The IUPAC name of N-cyclohexyl-N-ethylcarbamoyl fluoride (CID 102596547) is N-cyclohexyl-N-ethylcarbamoyl fluoride.
What is the SMILES notation for N-cyclohexyl-N-ethylcarbamoyl fluoride?
The canonical SMILES for N-cyclohexyl-N-ethylcarbamoyl fluoride is CCN(C(=O)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethylcarbamoyl fluoride?
The InChIKey is GQQACLIPDQXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethylcarbamoyl fluoride?
N-cyclohexyl-N-ethylcarbamoyl fluoride has a molecular weight of 173.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylcarbamoyl fluoride is sourced from PubChem (CID 102596547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).