6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane

C18H18ClFN2 — CID 166319954

IUPAC6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane
SMILESFc1cncc(Cl)c1N1CC(c2ccccc2)C2(CCC2)C1
InChIInChI=1S/C18H18ClFN2/c19-15-9-21-10-16(20)17(15)22-11-14(13-5-2-1-3-6-13)18(12-22)7-4-8-18/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyTXCMUPWAPBRIHD-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.65
Rot. Bonds2

About 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane

6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane (PubChem CID 166319954) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane
PubChem CID166319954
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane
SMILESFc1cncc(Cl)c1N1CC(c2ccccc2)C2(CCC2)C1
InChIInChI=1S/C18H18ClFN2/c19-15-9-21-10-16(20)17(15)22-11-14(13-5-2-1-3-6-13)18(12-22)7-4-8-18/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyTXCMUPWAPBRIHD-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane?
The IUPAC name of 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane (CID 166319954) is 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane is Fc1cncc(Cl)c1N1CC(c2ccccc2)C2(CCC2)C1.
What is the InChIKey of 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane?
The InChIKey is TXCMUPWAPBRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2/c19-15-9-21-10-16(20)17(15)22-11-14(13-5-2-1-3-6-13)18(12-22)7-4-8-18/h1-3,5-6,9-10,14H,4,7-8,11-12H2.
What are the key properties of 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane?
6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane has a molecular weight of 316.81 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 166319954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).