[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid

C10H10FNO3 — CID 69133239

IUPAC[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid
SMILESO=C(CNC(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c11-8-3-1-2-7(4-8)5-9(13)6-12-10(14)15/h1-4,12H,5-6H2,(H,14,15)
InChIKeyREXFBZVOUYAYEI-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.20
Rot. Bonds4

About [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid

[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid (PubChem CID 69133239) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid
PubChem CID69133239
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid
SMILESO=C(CNC(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c11-8-3-1-2-7(4-8)5-9(13)6-12-10(14)15/h1-4,12H,5-6H2,(H,14,15)
InChIKeyREXFBZVOUYAYEI-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(3-fluorophenyl)-6,6-dimethylheptane-2,4-dione
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1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
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1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
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1-(3-fluorophenyl)hex-5-yn-2-one
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1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
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2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
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1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
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1-(3-fluorophenyl)-4-methylhexan-2-one
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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid?
The IUPAC name of [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid (CID 69133239) is [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid.
What is the SMILES notation for [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid?
The canonical SMILES for [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid is O=C(CNC(=O)O)Cc1cccc(F)c1.
What is the InChIKey of [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid?
The InChIKey is REXFBZVOUYAYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-8-3-1-2-7(4-8)5-9(13)6-12-10(14)15/h1-4,12H,5-6H2,(H,14,15).
What are the key properties of [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid?
[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid has a molecular weight of 211.19 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-2-oxopropyl]carbamic acid is sourced from PubChem (CID 69133239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).