1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea

C7H12F4N2O — CID 106291111

IUPAC1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESCCN(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-3-13(2)6(14)12-4-7(10,11)5(8)9/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyAZTFOYZYBPRPBT-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.55
Rot. Bonds4

About 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea

1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea (PubChem CID 106291111) has the molecular formula C7H12F4N2O and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
PubChem CID106291111
Molecular FormulaC7H12F4N2O
Molecular Weight216.18 g/mol
Exact Mass216.09
IUPAC Name1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESCCN(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-3-13(2)6(14)12-4-7(10,11)5(8)9/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyAZTFOYZYBPRPBT-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106295297
2-amino-2-methyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
CID 106291936
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
CID 114169808
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291636
2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291856
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
CID 106294879
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea (CID 106291111) is 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea is CCN(C)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The InChIKey is AZTFOYZYBPRPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O/c1-3-13(2)6(14)12-4-7(10,11)5(8)9/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea?
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea has a molecular weight of 216.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea is sourced from PubChem (CID 106291111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).