1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea

C9H16F2N2O2 — CID 104858631

IUPAC1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-8(15)13-7-3-1-2-4-7/h7,14H,1-6H2,(H2,12,13,15)
InChIKeyCRFDNUSHDLSPJL-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.86
Rot. Bonds4

About 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea

1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea (PubChem CID 104858631) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea
PubChem CID104858631
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-8(15)13-7-3-1-2-4-7/h7,14H,1-6H2,(H2,12,13,15)
InChIKeyCRFDNUSHDLSPJL-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea 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 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea (CID 104858631) is 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea is O=C(NCC(F)(F)CO)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The InChIKey is CRFDNUSHDLSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-8(15)13-7-3-1-2-4-7/h7,14H,1-6H2,(H2,12,13,15).
What are the key properties of 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea has a molecular weight of 222.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea is sourced from PubChem (CID 104858631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).