methyl N-fluoro-N-(2-hydroxyethyl)carbamate

C4H8FNO3 — CID 154965038

IUPACmethyl N-fluoro-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(F)CCO
InChIInChI=1S/C4H8FNO3/c1-9-4(8)6(5)2-3-7/h7H,2-3H2,1H3
InChIKeyXHBHSMHYOCHSEP-UHFFFAOYSA-N
MW137.11 g/mol
LogP-0.07
Rot. Bonds2

About methyl N-fluoro-N-(2-hydroxyethyl)carbamate

methyl N-fluoro-N-(2-hydroxyethyl)carbamate (PubChem CID 154965038) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is methyl N-fluoro-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-fluoro-N-(2-hydroxyethyl)carbamate
PubChem CID154965038
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC Namemethyl N-fluoro-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(F)CCO
InChIInChI=1S/C4H8FNO3/c1-9-4(8)6(5)2-3-7/h7H,2-3H2,1H3
InChIKeyXHBHSMHYOCHSEP-UHFFFAOYSA-N
XLogP-0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-fluoro-N-(2-hydroxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19370355
CID 19370355
CID 568300
CID 568300
CID 23050911
CID 23050911
CID 23050912
CID 23050912
CID 141317064
CID 141317064
CID 150421564
CID 150421564
CID 154965295
CID 154965295
CID 65169047
CID 65169047
CID 103915601
CID 103915601
CID 107479090
CID 107479090
CID 12587960
CID 12587960
CID 17922454
CID 17922454

Frequently Asked Questions

What is the IUPAC name of methyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The IUPAC name of methyl N-fluoro-N-(2-hydroxyethyl)carbamate (CID 154965038) is methyl N-fluoro-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for methyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for methyl N-fluoro-N-(2-hydroxyethyl)carbamate is COC(=O)N(F)CCO.
What is the InChIKey of methyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The InChIKey is XHBHSMHYOCHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO3/c1-9-4(8)6(5)2-3-7/h7H,2-3H2,1H3.
What are the key properties of methyl N-fluoro-N-(2-hydroxyethyl)carbamate?
methyl N-fluoro-N-(2-hydroxyethyl)carbamate has a molecular weight of 137.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-fluoro-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 154965038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).