7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane

C16H21ClFN — CID 144948381

IUPAC7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
SMILESCC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2
InChIInChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyOKILNHYPJSFUTQ-UHFFFAOYSA-N
MW281.80 g/mol
LogP4.36
Rot. Bonds1

About 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane

7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane (PubChem CID 144948381) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
PubChem CID144948381
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC Name7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
SMILESCC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2
InChIInChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyOKILNHYPJSFUTQ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The IUPAC name of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane (CID 144948381) is 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane.
What is the SMILES notation for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The canonical SMILES for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane is CC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2.
What is the InChIKey of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The InChIKey is OKILNHYPJSFUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3.
What are the key properties of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane has a molecular weight of 281.80 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 144948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).