(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

C16H20ClFN2O — CID 102849841

IUPAC(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(9-12)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2
InChIKeyUMEVJYCJOFUTOT-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.08
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 102849841) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID102849841
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(9-12)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2
InChIKeyUMEVJYCJOFUTOT-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 102849841) is (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCCC2(CCCNC2)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is UMEVJYCJOFUTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(9-12)15(21)20-8-2-6-16(11-20)5-1-7-19-10-16/h3-4,9,19H,1-2,5-8,10-11H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 310.80 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 102849841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).