N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride

C6H11F2NO — CID 57018316

IUPACN-tert-butyl-N-(fluoromethyl)carbamoyl fluoride
SMILESCC(C)(C)N(CF)C(=O)F
InChIInChI=1S/C6H11F2NO/c1-6(2,3)9(4-7)5(8)10/h4H2,1-3H3
InChIKeyLAQCIRNZVHRQPS-UHFFFAOYSA-N
MW151.16 g/mol
LogP2.10
Rot. Bonds1

About N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride

N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride (PubChem CID 57018316) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-tert-butyl-N-(fluoromethyl)carbamoyl fluoride
PubChem CID57018316
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN-tert-butyl-N-(fluoromethyl)carbamoyl fluoride
SMILESCC(C)(C)N(CF)C(=O)F
InChIInChI=1S/C6H11F2NO/c1-6(2,3)9(4-7)5(8)10/h4H2,1-3H3
InChIKeyLAQCIRNZVHRQPS-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 52.10
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-(fluoromethyl)carbamoyl fluoride?
The IUPAC name of N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride (CID 57018316) is N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride.
What is the SMILES notation for N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride?
The canonical SMILES for N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride is CC(C)(C)N(CF)C(=O)F.
What is the InChIKey of N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride?
The InChIKey is LAQCIRNZVHRQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-6(2,3)9(4-7)5(8)10/h4H2,1-3H3.
What are the key properties of N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride?
N-tert-butyl-N-(fluoromethyl)carbamoyl fluoride has a molecular weight of 151.16 g/mol, XLogP of 2.10, 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-(fluoromethyl)carbamoyl fluoride is sourced from PubChem (CID 57018316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).