1-(difluoromethyl)-1-(2-hydroxyethyl)urea

C4H8F2N2O2 — CID 87441011

IUPAC1-(difluoromethyl)-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)C(F)F
InChIInChI=1S/C4H8F2N2O2/c5-3(6)8(1-2-9)4(7)10/h3,9H,1-2H2,(H2,7,10)
InChIKeyVOTWDENXZGMCDU-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.42
Rot. Bonds3

About 1-(difluoromethyl)-1-(2-hydroxyethyl)urea

1-(difluoromethyl)-1-(2-hydroxyethyl)urea (PubChem CID 87441011) has the molecular formula C4H8F2N2O2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(difluoromethyl)-1-(2-hydroxyethyl)urea
PubChem CID87441011
Molecular FormulaC4H8F2N2O2
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1-(difluoromethyl)-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)C(F)F
InChIInChI=1S/C4H8F2N2O2/c5-3(6)8(1-2-9)4(7)10/h3,9H,1-2H2,(H2,7,10)
InChIKeyVOTWDENXZGMCDU-UHFFFAOYSA-N
XLogP-0.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[carbamoyl(2-hydroxyethyl)amino]ethanesulfonic acid
CID 19375335
1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
2-(carbamoylamino)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573322
ethane-1,2-diol;2-fluoropropanamide
CID 175562566
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
1-ethenyl-1-(2-hydroxyethyl)urea
CID 57006920
2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
CID 18671967
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide
CID 176975364
2-amino-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpentanamide
CID 43579455
1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea
CID 88538082
2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43608029

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(difluoromethyl)-1-(2-hydroxyethyl)urea (CID 87441011) is 1-(difluoromethyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(difluoromethyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(difluoromethyl)-1-(2-hydroxyethyl)urea is NC(=O)N(CCO)C(F)F.
What is the InChIKey of 1-(difluoromethyl)-1-(2-hydroxyethyl)urea?
The InChIKey is VOTWDENXZGMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2/c5-3(6)8(1-2-9)4(7)10/h3,9H,1-2H2,(H2,7,10).
What are the key properties of 1-(difluoromethyl)-1-(2-hydroxyethyl)urea?
1-(difluoromethyl)-1-(2-hydroxyethyl)urea has a molecular weight of 154.12 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 87441011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).