1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea

C9H16F2N2O2 — CID 167984050

IUPAC1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea
SMILESCN(CC(F)F)C(=O)N[C@H]1CCCOC1
InChIInChI=1S/C9H16F2N2O2/c1-13(5-8(10)11)9(14)12-7-3-2-4-15-6-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyDFCOIAQITYLBIQ-ZETCQYMHSA-N
MW222.23 g/mol
LogP1.07
Rot. Bonds3

About 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea

1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea (PubChem CID 167984050) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea
PubChem CID167984050
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea
SMILESCN(CC(F)F)C(=O)N[C@H]1CCCOC1
InChIInChI=1S/C9H16F2N2O2/c1-13(5-8(10)11)9(14)12-7-3-2-4-15-6-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyDFCOIAQITYLBIQ-ZETCQYMHSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-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

N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
1-[1-(2-Methylpropoxy)propan-2-yl]-3-[1-(oxan-4-yl)ethyl]urea
CID 75381384
3-cyclobutyloxy-N-(1,1-difluorobutan-2-yl)piperidine-1-carboxamide
CID 132363634
3-fluoro-N-[(3R)-oxan-3-yl]azetidine-1-carboxamide
CID 132372684
3-[(3S,4S)-4-methoxyoxan-3-yl]-1,1-dimethylurea
CID 164633554
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 142539991
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 60605165

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea (CID 167984050) is 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea is CN(CC(F)F)C(=O)N[C@H]1CCCOC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea?
The InChIKey is DFCOIAQITYLBIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-13(5-8(10)11)9(14)12-7-3-2-4-15-6-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea?
1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea has a molecular weight of 222.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-methyl-3-[(3S)-oxan-3-yl]urea is sourced from PubChem (CID 167984050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).