[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid

C10H12FNO3 — CID 66877184

IUPAC[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
SMILESCOC(C)(NC(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-10(15-2,12-9(13)14)7-5-3-4-6-8(7)11/h3-6,12H,1-2H3,(H,13,14)
InChIKeyNVTRXAATWDBDFX-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.91
Rot. Bonds3

About [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid

[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid (PubChem CID 66877184) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
PubChem CID66877184
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
SMILESCOC(C)(NC(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-10(15-2,12-9(13)14)7-5-3-4-6-8(7)11/h3-6,12H,1-2H3,(H,13,14)
InChIKeyNVTRXAATWDBDFX-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.91
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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Related Compounds

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CID 55255014
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
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N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
N-[2-(2-fluorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446437
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
2-phenylpropan-2-ylcarbamic acid
CID 23445609
methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 126734031

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid?
The IUPAC name of [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid (CID 66877184) is [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid.
What is the SMILES notation for [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid?
The canonical SMILES for [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid is COC(C)(NC(=O)O)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid?
The InChIKey is NVTRXAATWDBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-10(15-2,12-9(13)14)7-5-3-4-6-8(7)11/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid?
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid has a molecular weight of 213.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid is sourced from PubChem (CID 66877184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).