fluoro(1-methoxyethyl)carbamic acid

C4H8FNO3 — CID 23050911

IUPACfluoro(1-methoxyethyl)carbamic acid
SMILESCOC(C)N(F)C(=O)O
InChIInChI=1S/C4H8FNO3/c1-3(9-2)6(5)4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyBZAGJSOACZZQBL-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.84
Rot. Bonds2

About fluoro(1-methoxyethyl)carbamic acid

fluoro(1-methoxyethyl)carbamic acid (PubChem CID 23050911) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is fluoro(1-methoxyethyl)carbamic acid.

Molecular Properties

Compound Namefluoro(1-methoxyethyl)carbamic acid
PubChem CID23050911
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC Namefluoro(1-methoxyethyl)carbamic acid
SMILESCOC(C)N(F)C(=O)O
InChIInChI=1S/C4H8FNO3/c1-3(9-2)6(5)4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyBZAGJSOACZZQBL-UHFFFAOYSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro(1-methoxyethyl)carbamic acid?
The IUPAC name of fluoro(1-methoxyethyl)carbamic acid (CID 23050911) is fluoro(1-methoxyethyl)carbamic acid.
What is the SMILES notation for fluoro(1-methoxyethyl)carbamic acid?
The canonical SMILES for fluoro(1-methoxyethyl)carbamic acid is COC(C)N(F)C(=O)O.
What is the InChIKey of fluoro(1-methoxyethyl)carbamic acid?
The InChIKey is BZAGJSOACZZQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO3/c1-3(9-2)6(5)4(7)8/h3H,1-2H3,(H,7,8).
What are the key properties of fluoro(1-methoxyethyl)carbamic acid?
fluoro(1-methoxyethyl)carbamic acid has a molecular weight of 137.11 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1-methoxyethyl)carbamic acid is sourced from PubChem (CID 23050911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).