1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea

C11H21FN2O2 — CID 99615634

IUPAC1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCCCF
InChIInChI=1S/C11H21FN2O2/c1-2-14(9-10-5-3-8-16-10)11(15)13-7-4-6-12/h10H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyOJCKZOWGRBJSCS-JTQLQIEISA-N
MW232.30 g/mol
LogP1.56
Rot. Bonds6

About 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea

1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 99615634) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID99615634
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCCCF
InChIInChI=1S/C11H21FN2O2/c1-2-14(9-10-5-3-8-16-10)11(15)13-7-4-6-12/h10H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyOJCKZOWGRBJSCS-JTQLQIEISA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 99615634) is 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)NCCCF.
What is the InChIKey of 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is OJCKZOWGRBJSCS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-2-14(9-10-5-3-8-16-10)11(15)13-7-4-6-12/h10H,2-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 232.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 99615634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).