1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea

C9H17FN2O — CID 130691207

IUPAC1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea
SMILESCCNC(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-,8-/m1/s1
InChIKeyHFAOXHTURUZBCG-HTQZYQBOSA-N
MW188.25 g/mol
LogP1.59
Rot. Bonds2

About 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea

1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea (PubChem CID 130691207) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea
PubChem CID130691207
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea
SMILESCCNC(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-,8-/m1/s1
InChIKeyHFAOXHTURUZBCG-HTQZYQBOSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea?
The IUPAC name of 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea (CID 130691207) is 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea?
The canonical SMILES for 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea is CCNC(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea?
The InChIKey is HFAOXHTURUZBCG-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-,8-/m1/s1.
What are the key properties of 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea?
1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea has a molecular weight of 188.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea is sourced from PubChem (CID 130691207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).