1-(difluoromethyl)-1-(3-hydroxypropyl)urea

C5H10F2N2O2 — CID 87441454

IUPAC1-(difluoromethyl)-1-(3-hydroxypropyl)urea
SMILESNC(=O)N(CCCO)C(F)F
InChIInChI=1S/C5H10F2N2O2/c6-4(7)9(5(8)11)2-1-3-10/h4,10H,1-3H2,(H2,8,11)
InChIKeyHIEOYXVFMUQNLI-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.03
Rot. Bonds4

About 1-(difluoromethyl)-1-(3-hydroxypropyl)urea

1-(difluoromethyl)-1-(3-hydroxypropyl)urea (PubChem CID 87441454) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(difluoromethyl)-1-(3-hydroxypropyl)urea
PubChem CID87441454
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name1-(difluoromethyl)-1-(3-hydroxypropyl)urea
SMILESNC(=O)N(CCCO)C(F)F
InChIInChI=1S/C5H10F2N2O2/c6-4(7)9(5(8)11)2-1-3-10/h4,10H,1-3H2,(H2,8,11)
InChIKeyHIEOYXVFMUQNLI-UHFFFAOYSA-N
XLogP-0.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-(difluoromethyl)-1-(3-hydroxypropyl)urea (CID 87441454) is 1-(difluoromethyl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(difluoromethyl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(difluoromethyl)-1-(3-hydroxypropyl)urea is NC(=O)N(CCCO)C(F)F.
What is the InChIKey of 1-(difluoromethyl)-1-(3-hydroxypropyl)urea?
The InChIKey is HIEOYXVFMUQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c6-4(7)9(5(8)11)2-1-3-10/h4,10H,1-3H2,(H2,8,11).
What are the key properties of 1-(difluoromethyl)-1-(3-hydroxypropyl)urea?
1-(difluoromethyl)-1-(3-hydroxypropyl)urea has a molecular weight of 168.14 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 87441454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).