1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

C10H18F2N2O3 — CID 124625820

IUPAC1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCCCOC(F)F)NC[C@H]1CCCO1
InChIInChI=1S/C10H18F2N2O3/c11-9(12)17-6-2-4-13-10(15)14-7-8-3-1-5-16-8/h8-9H,1-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeyRISMMVYTOUZNNR-MRVPVSSYSA-N
MW252.26 g/mol
LogP1.09
Rot. Bonds7

About 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 124625820) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID124625820
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCCCOC(F)F)NC[C@H]1CCCO1
InChIInChI=1S/C10H18F2N2O3/c11-9(12)17-6-2-4-13-10(15)14-7-8-3-1-5-16-8/h8-9H,1-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeyRISMMVYTOUZNNR-MRVPVSSYSA-N
XLogP1.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 124625820) is 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NCCCOC(F)F)NC[C@H]1CCCO1.
What is the InChIKey of 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is RISMMVYTOUZNNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c11-9(12)17-6-2-4-13-10(15)14-7-8-3-1-5-16-8/h8-9H,1-7H2,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 252.26 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 124625820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).