1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea

C9H17FN2O — CID 130688509

IUPAC1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea
SMILESCCN(C)C(=O)N[C@H]1CCC[C@H]1F
InChIInChI=1S/C9H17FN2O/c1-3-12(2)9(13)11-8-6-4-5-7(8)10/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m1/s1
InChIKeyJIQVIYYAJUMMHI-SFYZADRCSA-N
MW188.25 g/mol
LogP1.54
Rot. Bonds2

About 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea

1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea (PubChem CID 130688509) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea
PubChem CID130688509
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea
SMILESCCN(C)C(=O)N[C@H]1CCC[C@H]1F
InChIInChI=1S/C9H17FN2O/c1-3-12(2)9(13)11-8-6-4-5-7(8)10/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m1/s1
InChIKeyJIQVIYYAJUMMHI-SFYZADRCSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea (CID 130688509) is 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea is CCN(C)C(=O)N[C@H]1CCC[C@H]1F.
What is the InChIKey of 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea?
The InChIKey is JIQVIYYAJUMMHI-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-12(2)9(13)11-8-6-4-5-7(8)10/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m1/s1.
What are the key properties of 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea?
1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea has a molecular weight of 188.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea is sourced from PubChem (CID 130688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).