1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea

C14H22F2N2O2 — CID 128627537

IUPAC1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NC1CCC(F)(F)CC1)NC1CC12CCOCC2
InChIInChI=1S/C14H22F2N2O2/c15-14(16)3-1-10(2-4-14)17-12(19)18-11-9-13(11)5-7-20-8-6-13/h10-11H,1-9H2,(H2,17,18,19)
InChIKeyPWPXELIPYCGSRY-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.43
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea

1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea (PubChem CID 128627537) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea
PubChem CID128627537
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NC1CCC(F)(F)CC1)NC1CC12CCOCC2
InChIInChI=1S/C14H22F2N2O2/c15-14(16)3-1-10(2-4-14)17-12(19)18-11-9-13(11)5-7-20-8-6-13/h10-11H,1-9H2,(H2,17,18,19)
InChIKeyPWPXELIPYCGSRY-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea (CID 128627537) is 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea is O=C(NC1CCC(F)(F)CC1)NC1CC12CCOCC2.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The InChIKey is PWPXELIPYCGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c15-14(16)3-1-10(2-4-14)17-12(19)18-11-9-13(11)5-7-20-8-6-13/h10-11H,1-9H2,(H2,17,18,19).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea?
1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea has a molecular weight of 288.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea is sourced from PubChem (CID 128627537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).