(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone

C15H14F5NO — CID 131702366

IUPAC(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H14F5NO/c16-14(17)9-13(14)5-7-21(8-6-13)12(22)10-1-3-11(4-2-10)15(18,19)20/h1-4H,5-9H2
InChIKeyTWSJWZPFEVUMKX-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.97
Rot. Bonds1

About (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 131702366) has the molecular formula C15H14F5NO and a molecular weight of 319.27 g/mol. Its IUPAC name is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID131702366
Molecular FormulaC15H14F5NO
Molecular Weight319.27 g/mol
Exact Mass319.10
IUPAC Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H14F5NO/c16-14(17)9-13(14)5-7-21(8-6-13)12(22)10-1-3-11(4-2-10)15(18,19)20/h1-4H,5-9H2
InChIKeyTWSJWZPFEVUMKX-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 131704030
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
2,1,3-benzothiadiazol-5-yl-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 131702364
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 110203454
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[4-(2-chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63395121

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 131702366) is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is TWSJWZPFEVUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5NO/c16-14(17)9-13(14)5-7-21(8-6-13)12(22)10-1-3-11(4-2-10)15(18,19)20/h1-4H,5-9H2.
What are the key properties of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 319.27 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 131702366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).