4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile

C14H15FN2O2 — CID 133479070

IUPAC4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCOC3(CCOC3)C2)c(F)c1
InChIInChI=1S/C14H15FN2O2/c15-12-7-11(8-16)1-2-13(12)17-4-6-19-14(9-17)3-5-18-10-14/h1-2,7H,3-6,9-10H2
InChIKeyBMYRVDQIRUKOIW-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.69
Rot. Bonds1

About 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile

4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile (PubChem CID 133479070) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile
PubChem CID133479070
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCOC3(CCOC3)C2)c(F)c1
InChIInChI=1S/C14H15FN2O2/c15-12-7-11(8-16)1-2-13(12)17-4-6-19-14(9-17)3-5-18-10-14/h1-2,7H,3-6,9-10H2
InChIKeyBMYRVDQIRUKOIW-UHFFFAOYSA-N
XLogP1.69
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile (CID 133479070) is 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile is N#Cc1ccc(N2CCOC3(CCOC3)C2)c(F)c1.
What is the InChIKey of 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile?
The InChIKey is BMYRVDQIRUKOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-12-7-11(8-16)1-2-13(12)17-4-6-19-14(9-17)3-5-18-10-14/h1-2,7H,3-6,9-10H2.
What are the key properties of 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile?
4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile has a molecular weight of 262.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 133479070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).