1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

C14H23FN2O2 — CID 128781663

IUPAC1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NC1CC12CCOCC2)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C14H23FN2O2/c15-10-3-1-2-4-11(10)16-13(18)17-12-9-14(12)5-7-19-8-6-14/h10-12H,1-9H2,(H2,16,17,18)/t10-,11-,12?/m1/s1
InChIKeyMFRJCFJJXCBRNB-XFKKCKKNSA-N
MW270.35 g/mol
LogP2.14
Rot. Bonds2

About 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (PubChem CID 128781663) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
PubChem CID128781663
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NC1CC12CCOCC2)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C14H23FN2O2/c15-10-3-1-2-4-11(10)16-13(18)17-12-9-14(12)5-7-19-8-6-14/h10-12H,1-9H2,(H2,16,17,18)/t10-,11-,12?/m1/s1
InChIKeyMFRJCFJJXCBRNB-XFKKCKKNSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (CID 128781663) is 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is O=C(NC1CC12CCOCC2)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The InChIKey is MFRJCFJJXCBRNB-XFKKCKKNSA-N. The full InChI is InChI=1S/C14H23FN2O2/c15-10-3-1-2-4-11(10)16-13(18)17-12-9-14(12)5-7-19-8-6-14/h10-12H,1-9H2,(H2,16,17,18)/t10-,11-,12?/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea has a molecular weight of 270.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is sourced from PubChem (CID 128781663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).