4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride

C14H15ClF2N2 — CID 175648741

IUPAC4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCCC3(C2)CC3(F)F)cc1
InChIInChI=1S/C14H14F2N2.ClH/c15-14(16)9-13(14)6-1-7-18(10-13)12-4-2-11(8-17)3-5-12;/h2-5H,1,6-7,9-10H2;1H
InChIKeyFAAYGISZVDQIIU-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.61
Rot. Bonds1

About 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride

4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride (PubChem CID 175648741) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride
PubChem CID175648741
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCCC3(C2)CC3(F)F)cc1
InChIInChI=1S/C14H14F2N2.ClH/c15-14(16)9-13(14)6-1-7-18(10-13)12-4-2-11(8-17)3-5-12;/h2-5H,1,6-7,9-10H2;1H
InChIKeyFAAYGISZVDQIIU-UHFFFAOYSA-N
XLogP3.61
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride?
The IUPAC name of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride (CID 175648741) is 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(N2CCCC3(C2)CC3(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride?
The InChIKey is FAAYGISZVDQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.ClH/c15-14(16)9-13(14)6-1-7-18(10-13)12-4-2-11(8-17)3-5-12;/h2-5H,1,6-7,9-10H2;1H.
What are the key properties of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride?
4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 175648741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).