(2-fluoro-3-hydroxypropyl)urea

C4H9FN2O2 — CID 135162928

IUPAC(2-fluoro-3-hydroxypropyl)urea
SMILESNC(=O)NCC(F)CO
InChIInChI=1S/C4H9FN2O2/c5-3(2-8)1-7-4(6)9/h3,8H,1-2H2,(H3,6,7,9)
InChIKeyPJFXBWZGVNUBSD-UHFFFAOYSA-N
MW136.13 g/mol
LogP-1.01
Rot. Bonds3

About (2-fluoro-3-hydroxypropyl)urea

(2-fluoro-3-hydroxypropyl)urea (PubChem CID 135162928) has the molecular formula C4H9FN2O2 and a molecular weight of 136.13 g/mol. Its IUPAC name is (2-fluoro-3-hydroxypropyl)urea.

Molecular Properties

Compound Name(2-fluoro-3-hydroxypropyl)urea
PubChem CID135162928
Molecular FormulaC4H9FN2O2
Molecular Weight136.13 g/mol
Exact Mass136.06
IUPAC Name(2-fluoro-3-hydroxypropyl)urea
SMILESNC(=O)NCC(F)CO
InChIInChI=1S/C4H9FN2O2/c5-3(2-8)1-7-4(6)9/h3,8H,1-2H2,(H3,6,7,9)
InChIKeyPJFXBWZGVNUBSD-UHFFFAOYSA-N
XLogP-1.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxypropyl)urea?
The IUPAC name of (2-fluoro-3-hydroxypropyl)urea (CID 135162928) is (2-fluoro-3-hydroxypropyl)urea.
What is the SMILES notation for (2-fluoro-3-hydroxypropyl)urea?
The canonical SMILES for (2-fluoro-3-hydroxypropyl)urea is NC(=O)NCC(F)CO.
What is the InChIKey of (2-fluoro-3-hydroxypropyl)urea?
The InChIKey is PJFXBWZGVNUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O2/c5-3(2-8)1-7-4(6)9/h3,8H,1-2H2,(H3,6,7,9).
What are the key properties of (2-fluoro-3-hydroxypropyl)urea?
(2-fluoro-3-hydroxypropyl)urea has a molecular weight of 136.13 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxypropyl)urea is sourced from PubChem (CID 135162928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).