[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid

C10H11F2NO3 — CID 68726221

IUPAC[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid
SMILESCOC(C)(NC(=O)O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO3/c1-10(16-2,13-9(14)15)6-4-3-5-7(11)8(6)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyDLMIDFFNHSPATB-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.05
Rot. Bonds3

About [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid

[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid (PubChem CID 68726221) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid
PubChem CID68726221
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid
SMILESCOC(C)(NC(=O)O)c1cccc(F)c1F
InChIInChI=1S/C10H11F2NO3/c1-10(16-2,13-9(14)15)6-4-3-5-7(11)8(6)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyDLMIDFFNHSPATB-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid?
The IUPAC name of [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid (CID 68726221) is [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid.
What is the SMILES notation for [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid?
The canonical SMILES for [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid is COC(C)(NC(=O)O)c1cccc(F)c1F.
What is the InChIKey of [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid?
The InChIKey is DLMIDFFNHSPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-10(16-2,13-9(14)15)6-4-3-5-7(11)8(6)12/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid?
[1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid has a molecular weight of 231.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)-1-methoxyethyl]carbamic acid is sourced from PubChem (CID 68726221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).