N-tert-butyl-N-ethylcarbamoyl fluoride

C7H14FNO — CID 155331800

IUPACN-tert-butyl-N-ethylcarbamoyl fluoride
SMILESCCN(C(=O)F)C(C)(C)C
InChIInChI=1S/C7H14FNO/c1-5-9(6(8)10)7(2,3)4/h5H2,1-4H3
InChIKeyULAYMIYLSXVQDF-UHFFFAOYSA-N
MW147.19 g/mol
LogP2.20
Rot. Bonds1

About N-tert-butyl-N-ethylcarbamoyl fluoride

N-tert-butyl-N-ethylcarbamoyl fluoride (PubChem CID 155331800) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-tert-butyl-N-ethylcarbamoyl fluoride.

Molecular Properties

Compound NameN-tert-butyl-N-ethylcarbamoyl fluoride
PubChem CID155331800
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-tert-butyl-N-ethylcarbamoyl fluoride
SMILESCCN(C(=O)F)C(C)(C)C
InChIInChI=1S/C7H14FNO/c1-5-9(6(8)10)7(2,3)4/h5H2,1-4H3
InChIKeyULAYMIYLSXVQDF-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 52.20
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-tert-butyl-N-ethylcarbamoyl fluoride?
The IUPAC name of N-tert-butyl-N-ethylcarbamoyl fluoride (CID 155331800) is N-tert-butyl-N-ethylcarbamoyl fluoride.
What is the SMILES notation for N-tert-butyl-N-ethylcarbamoyl fluoride?
The canonical SMILES for N-tert-butyl-N-ethylcarbamoyl fluoride is CCN(C(=O)F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethylcarbamoyl fluoride?
The InChIKey is ULAYMIYLSXVQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5-9(6(8)10)7(2,3)4/h5H2,1-4H3.
What are the key properties of N-tert-butyl-N-ethylcarbamoyl fluoride?
N-tert-butyl-N-ethylcarbamoyl fluoride has a molecular weight of 147.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethylcarbamoyl fluoride is sourced from PubChem (CID 155331800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).