8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide

C18H20F3NO — CID 167767344

IUPAC8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)C1CC2(C1)C(F)(F)C21CC1
InChIInChI=1S/C18H20F3NO/c1-11(13-5-3-4-6-14(13)19)22(2)15(23)12-9-17(10-12)16(7-8-16)18(17,20)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMKSJIYPKHUIWLK-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.17
Rot. Bonds3

About 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide

8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide (PubChem CID 167767344) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide.

Molecular Properties

Compound Name8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide
PubChem CID167767344
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)C1CC2(C1)C(F)(F)C21CC1
InChIInChI=1S/C18H20F3NO/c1-11(13-5-3-4-6-14(13)19)22(2)15(23)12-9-17(10-12)16(7-8-16)18(17,20)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMKSJIYPKHUIWLK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
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N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86925371
N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013976
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
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N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide?
The IUPAC name of 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide (CID 167767344) is 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide.
What is the SMILES notation for 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide?
The canonical SMILES for 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide is CC(c1ccccc1F)N(C)C(=O)C1CC2(C1)C(F)(F)C21CC1.
What is the InChIKey of 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide?
The InChIKey is MKSJIYPKHUIWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-11(13-5-3-4-6-14(13)19)22(2)15(23)12-9-17(10-12)16(7-8-16)18(17,20)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide?
8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-N-[1-(2-fluorophenyl)ethyl]-N-methyldispiro[2.0.34.13]octane-6-carboxamide is sourced from PubChem (CID 167767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).