1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea

C8H16F2N2O2 — CID 103082293

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-2-3-11-8(13)12-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKeyTWNINQCINHSXLH-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.98
Rot. Bonds7

About 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea

1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea (PubChem CID 103082293) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
PubChem CID103082293
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-2-3-11-8(13)12-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKeyTWNINQCINHSXLH-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea 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-butyl-3-[2-(2,2-difluoroethoxy)ethyl]urea
CID 103082291
2-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128613
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
CID 103082376
4-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128588
ethyl 4-[2-(2,2-difluoroethoxy)ethylamino]-4-oxobutanoate
CID 103082388
N-[2-(2,2-difluoroethoxy)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114128850
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
3-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 114128571
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea (CID 103082293) is 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea is CCCNC(=O)NCCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea?
The InChIKey is TWNINQCINHSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-2-3-11-8(13)12-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea?
1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea has a molecular weight of 210.22 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea is sourced from PubChem (CID 103082293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).