N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride

C9H18FNO — CID 88883733

IUPACN-ethyl-N-(2-ethylbutyl)carbamoyl fluoride
SMILESCCC(CC)CN(CC)C(=O)F
InChIInChI=1S/C9H18FNO/c1-4-8(5-2)7-11(6-3)9(10)12/h8H,4-7H2,1-3H3
InChIKeySSAFHGMKIKLYJU-UHFFFAOYSA-N
MW175.25 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride

N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride (PubChem CID 88883733) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)carbamoyl fluoride
PubChem CID88883733
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-ethyl-N-(2-ethylbutyl)carbamoyl fluoride
SMILESCCC(CC)CN(CC)C(=O)F
InChIInChI=1S/C9H18FNO/c1-4-8(5-2)7-11(6-3)9(10)12/h8H,4-7H2,1-3H3
InChIKeySSAFHGMKIKLYJU-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.83
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-ethyl-N-(2-ethylbutyl)carbamoyl fluoride?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride (CID 88883733) is N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride is CCC(CC)CN(CC)C(=O)F.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride?
The InChIKey is SSAFHGMKIKLYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-8(5-2)7-11(6-3)9(10)12/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride?
N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride has a molecular weight of 175.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)carbamoyl fluoride is sourced from PubChem (CID 88883733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).