1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea

C14H24F2N2O — CID 136583724

IUPAC1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)NCC1C(C)(C)C1(F)F
InChIInChI=1S/C14H24F2N2O/c1-8(2)10-5-9(10)6-17-12(19)18-7-11-13(3,4)14(11,15)16/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/t9-,10-,11?/m0/s1
InChIKeyRDHTYFICNWNBRT-QRHSGQBVSA-N
MW274.36 g/mol
LogP2.87
Rot. Bonds5

About 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea

1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea (PubChem CID 136583724) has the molecular formula C14H24F2N2O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea
PubChem CID136583724
Molecular FormulaC14H24F2N2O
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)NCC1C(C)(C)C1(F)F
InChIInChI=1S/C14H24F2N2O/c1-8(2)10-5-9(10)6-17-12(19)18-7-11-13(3,4)14(11,15)16/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/t9-,10-,11?/m0/s1
InChIKeyRDHTYFICNWNBRT-QRHSGQBVSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]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-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea?
The IUPAC name of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea (CID 136583724) is 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea?
The canonical SMILES for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea is CC(C)[C@@H]1C[C@H]1CNC(=O)NCC1C(C)(C)C1(F)F.
What is the InChIKey of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea?
The InChIKey is RDHTYFICNWNBRT-QRHSGQBVSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-8(2)10-5-9(10)6-17-12(19)18-7-11-13(3,4)14(11,15)16/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/t9-,10-,11?/m0/s1.
What are the key properties of 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea?
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea has a molecular weight of 274.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea is sourced from PubChem (CID 136583724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).