1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea

C11H18F2N2O2 — CID 154736653

IUPAC1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea
SMILESCOC1CC(NC(=O)NCC(F)F)C12CCC2
InChIInChI=1S/C11H18F2N2O2/c1-17-8-5-7(11(8)3-2-4-11)15-10(16)14-6-9(12)13/h7-9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyNMRYJLGOHQGISW-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.51
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea

1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 154736653) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea
PubChem CID154736653
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea
SMILESCOC1CC(NC(=O)NCC(F)F)C12CCC2
InChIInChI=1S/C11H18F2N2O2/c1-17-8-5-7(11(8)3-2-4-11)15-10(16)14-6-9(12)13/h7-9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyNMRYJLGOHQGISW-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4,4-Difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
CID 136531775
1-[1-(4,4-Difluorocyclohexyl)ethyl]-3-(3-methoxyspiro[3.3]heptan-1-yl)urea
CID 136551190
1-(3-Methoxy-2,2,3-trimethylcyclobutyl)-3-(3,3,3-trifluoropropyl)urea
CID 71985601
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 71989753
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566037
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566038
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566039
1-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566040
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97584085
1-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97584087
1-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99847319
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99847321

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea (CID 154736653) is 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea is COC1CC(NC(=O)NCC(F)F)C12CCC2.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is NMRYJLGOHQGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-17-8-5-7(11(8)3-2-4-11)15-10(16)14-6-9(12)13/h7-9H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea?
1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 248.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 154736653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).