(2-fluoro-3-oxopropyl)carbamic acid

C4H6FNO3 — CID 175714787

IUPAC(2-fluoro-3-oxopropyl)carbamic acid
SMILESO=CC(F)CNC(=O)O
InChIInChI=1S/C4H6FNO3/c5-3(2-7)1-6-4(8)9/h2-3,6H,1H2,(H,8,9)
InChIKeyMIQCQQLNWQRKRQ-UHFFFAOYSA-N
MW135.09 g/mol
LogP-0.21
Rot. Bonds3

About (2-fluoro-3-oxopropyl)carbamic acid

(2-fluoro-3-oxopropyl)carbamic acid (PubChem CID 175714787) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is (2-fluoro-3-oxopropyl)carbamic acid.

Molecular Properties

Compound Name(2-fluoro-3-oxopropyl)carbamic acid
PubChem CID175714787
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name(2-fluoro-3-oxopropyl)carbamic acid
SMILESO=CC(F)CNC(=O)O
InChIInChI=1S/C4H6FNO3/c5-3(2-7)1-6-4(8)9/h2-3,6H,1H2,(H,8,9)
InChIKeyMIQCQQLNWQRKRQ-UHFFFAOYSA-N
XLogP-0.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-oxopropyl)carbamic acid?
The IUPAC name of (2-fluoro-3-oxopropyl)carbamic acid (CID 175714787) is (2-fluoro-3-oxopropyl)carbamic acid.
What is the SMILES notation for (2-fluoro-3-oxopropyl)carbamic acid?
The canonical SMILES for (2-fluoro-3-oxopropyl)carbamic acid is O=CC(F)CNC(=O)O.
What is the InChIKey of (2-fluoro-3-oxopropyl)carbamic acid?
The InChIKey is MIQCQQLNWQRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3/c5-3(2-7)1-6-4(8)9/h2-3,6H,1H2,(H,8,9).
What are the key properties of (2-fluoro-3-oxopropyl)carbamic acid?
(2-fluoro-3-oxopropyl)carbamic acid has a molecular weight of 135.09 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-oxopropyl)carbamic acid is sourced from PubChem (CID 175714787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).