2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane

C15H19F2NO — CID 175649184

IUPAC2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
SMILESCOc1cccc(CN2CCCC3(C2)CC3(F)F)c1
InChIInChI=1S/C15H19F2NO/c1-19-13-5-2-4-12(8-13)9-18-7-3-6-14(11-18)10-15(14,16)17/h2,4-5,8H,3,6-7,9-11H2,1H3
InChIKeyRBMSTFRWRXZPKZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.32
Rot. Bonds3

About 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane

2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane (PubChem CID 175649184) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
PubChem CID175649184
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
SMILESCOc1cccc(CN2CCCC3(C2)CC3(F)F)c1
InChIInChI=1S/C15H19F2NO/c1-19-13-5-2-4-12(8-13)9-18-7-3-6-14(11-18)10-15(14,16)17/h2,4-5,8H,3,6-7,9-11H2,1H3
InChIKeyRBMSTFRWRXZPKZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 97482743
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane (CID 175649184) is 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane is COc1cccc(CN2CCCC3(C2)CC3(F)F)c1.
What is the InChIKey of 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane?
The InChIKey is RBMSTFRWRXZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-19-13-5-2-4-12(8-13)9-18-7-3-6-14(11-18)10-15(14,16)17/h2,4-5,8H,3,6-7,9-11H2,1H3.
What are the key properties of 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane?
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane has a molecular weight of 267.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 175649184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).