[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea

C8H13F3N2O — CID 124591359

IUPAC[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea
SMILESNC(=O)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6(13-7(12)14)5-3-1-2-4-5/h5-6H,1-4H2,(H3,12,13,14)/t6-/m0/s1
InChIKeyJCFLMLGIZMVOTF-LURJTMIESA-N
MW210.20 g/mol
LogP1.78
Rot. Bonds2

About [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea

[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea (PubChem CID 124591359) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea.

Molecular Properties

Compound Name[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea
PubChem CID124591359
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea
SMILESNC(=O)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6(13-7(12)14)5-3-1-2-4-5/h5-6H,1-4H2,(H3,12,13,14)/t6-/m0/s1
InChIKeyJCFLMLGIZMVOTF-LURJTMIESA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]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 [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea?
The IUPAC name of [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea (CID 124591359) is [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea.
What is the SMILES notation for [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea?
The canonical SMILES for [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea is NC(=O)N[C@@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea?
The InChIKey is JCFLMLGIZMVOTF-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)6(13-7(12)14)5-3-1-2-4-5/h5-6H,1-4H2,(H3,12,13,14)/t6-/m0/s1.
What are the key properties of [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea?
[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea has a molecular weight of 210.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]urea is sourced from PubChem (CID 124591359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).