2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane

C14H14F5NO3S — CID 131703378

IUPAC2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C14H14F5NO3S/c15-13(16)9-12(13)5-7-20(8-6-12)24(21,22)11-3-1-10(2-4-11)23-14(17,18)19/h1-4H,5-9H2
InChIKeyLXAXJRLCIWOFQU-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.40
Rot. Bonds3

About 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane

2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane (PubChem CID 131703378) has the molecular formula C14H14F5NO3S and a molecular weight of 371.33 g/mol. Its IUPAC name is 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane
PubChem CID131703378
Molecular FormulaC14H14F5NO3S
Molecular Weight371.33 g/mol
Exact Mass371.06
IUPAC Name2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C14H14F5NO3S/c15-13(16)9-12(13)5-7-20(8-6-12)24(21,22)11-3-1-10(2-4-11)23-14(17,18)19/h1-4H,5-9H2
InChIKeyLXAXJRLCIWOFQU-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
methyl 4-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)sulfonyl]benzoate
CID 126855619
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
4-methyl-1-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001229
6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
CID 126851681
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 27769595
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoic acid
CID 66681921
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane (CID 131703378) is 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane?
The InChIKey is LXAXJRLCIWOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO3S/c15-13(16)9-12(13)5-7-20(8-6-12)24(21,22)11-3-1-10(2-4-11)23-14(17,18)19/h1-4H,5-9H2.
What are the key properties of 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane?
2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane has a molecular weight of 371.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 131703378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).