2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile

C15H16FNO3S — CID 65006506

IUPAC2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccccc2F)CC2(CCOCC2)C1
InChIInChI=1S/C15H16FNO3S/c16-12-3-1-2-4-13(12)21(18,19)15(11-17)9-14(10-15)5-7-20-8-6-14/h1-4H,5-10H2
InChIKeyBVTQEWVEXWAFMA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile

2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile (PubChem CID 65006506) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile
PubChem CID65006506
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccccc2F)CC2(CCOCC2)C1
InChIInChI=1S/C15H16FNO3S/c16-12-3-1-2-4-13(12)21(18,19)15(11-17)9-14(10-15)5-7-20-8-6-14/h1-4H,5-10H2
InChIKeyBVTQEWVEXWAFMA-UHFFFAOYSA-N
XLogP2.45
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile (CID 65006506) is 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile is N#CC1(S(=O)(=O)c2ccccc2F)CC2(CCOCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The InChIKey is BVTQEWVEXWAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-12-3-1-2-4-13(12)21(18,19)15(11-17)9-14(10-15)5-7-20-8-6-14/h1-4H,5-10H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile?
2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile has a molecular weight of 309.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-7-oxaspiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 65006506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).