(1-fluoro-1-oxopropan-2-yl) carbamate

C4H6FNO3 — CID 118471736

IUPAC(1-fluoro-1-oxopropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(=O)F
InChIInChI=1S/C4H6FNO3/c1-2(3(5)7)9-4(6)8/h2H,1H3,(H2,6,8)
InChIKeyGXSORZSJAYHGSX-UHFFFAOYSA-N
MW135.09 g/mol
LogP-0.03
Rot. Bonds2

About (1-fluoro-1-oxopropan-2-yl) carbamate

(1-fluoro-1-oxopropan-2-yl) carbamate (PubChem CID 118471736) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is (1-fluoro-1-oxopropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-fluoro-1-oxopropan-2-yl) carbamate
PubChem CID118471736
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name(1-fluoro-1-oxopropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(=O)F
InChIInChI=1S/C4H6FNO3/c1-2(3(5)7)9-4(6)8/h2H,1H3,(H2,6,8)
InChIKeyGXSORZSJAYHGSX-UHFFFAOYSA-N
XLogP-0.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-yl carbamate;2,2,2-trifluoroacetic acid
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3-methoxybutan-2-yl carbamate
CID 88788189
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2-(2-carbamoyloxypropanoyloxy)ethyl-trimethylazanium iodide
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(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
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1-carbamoyloxyethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-oxopropan-2-yl) carbamate?
The IUPAC name of (1-fluoro-1-oxopropan-2-yl) carbamate (CID 118471736) is (1-fluoro-1-oxopropan-2-yl) carbamate.
What is the SMILES notation for (1-fluoro-1-oxopropan-2-yl) carbamate?
The canonical SMILES for (1-fluoro-1-oxopropan-2-yl) carbamate is CC(OC(N)=O)C(=O)F.
What is the InChIKey of (1-fluoro-1-oxopropan-2-yl) carbamate?
The InChIKey is GXSORZSJAYHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3/c1-2(3(5)7)9-4(6)8/h2H,1H3,(H2,6,8).
What are the key properties of (1-fluoro-1-oxopropan-2-yl) carbamate?
(1-fluoro-1-oxopropan-2-yl) carbamate has a molecular weight of 135.09 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-oxopropan-2-yl) carbamate is sourced from PubChem (CID 118471736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).