1-cyclopentyl-3-(2,2-difluoroethyl)urea

C8H14F2N2O — CID 115667099

IUPAC1-cyclopentyl-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC1CCCC1
InChIInChI=1S/C8H14F2N2O/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyQSFFUHCLYWLJTH-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.49
Rot. Bonds3

About 1-cyclopentyl-3-(2,2-difluoroethyl)urea

1-cyclopentyl-3-(2,2-difluoroethyl)urea (PubChem CID 115667099) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2-difluoroethyl)urea
PubChem CID115667099
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-cyclopentyl-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC1CCCC1
InChIInChI=1S/C8H14F2N2O/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyQSFFUHCLYWLJTH-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopentyl-3-(2,2-difluoroethyl)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-difluoroethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,2-difluoroethyl)urea (CID 115667099) is 1-cyclopentyl-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2-difluoroethyl)urea?
The InChIKey is QSFFUHCLYWLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-7(10)5-11-8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(2,2-difluoroethyl)urea?
1-cyclopentyl-3-(2,2-difluoroethyl)urea has a molecular weight of 192.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 115667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).