5-fluoropentylurea

C6H13FN2O — CID 88681885

IUPAC5-fluoropentylurea
SMILESNC(=O)NCCCCCF
InChIInChI=1S/C6H13FN2O/c7-4-2-1-3-5-9-6(8)10/h1-5H2,(H3,8,9,10)
InChIKeyMVBMJZJDDLMQCZ-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.79
Rot. Bonds5

About 5-fluoropentylurea

5-fluoropentylurea (PubChem CID 88681885) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 5-fluoropentylurea.

Molecular Properties

Compound Name5-fluoropentylurea
PubChem CID88681885
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name5-fluoropentylurea
SMILESNC(=O)NCCCCCF
InChIInChI=1S/C6H13FN2O/c7-4-2-1-3-5-9-6(8)10/h1-5H2,(H3,8,9,10)
InChIKeyMVBMJZJDDLMQCZ-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoropentylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoropentylurea?
The IUPAC name of 5-fluoropentylurea (CID 88681885) is 5-fluoropentylurea.
What is the SMILES notation for 5-fluoropentylurea?
The canonical SMILES for 5-fluoropentylurea is NC(=O)NCCCCCF.
What is the InChIKey of 5-fluoropentylurea?
The InChIKey is MVBMJZJDDLMQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c7-4-2-1-3-5-9-6(8)10/h1-5H2,(H3,8,9,10).
What are the key properties of 5-fluoropentylurea?
5-fluoropentylurea has a molecular weight of 148.18 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentylurea is sourced from PubChem (CID 88681885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).