(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane

C19H19F2N — CID 121314970

IUPAC(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane
SMILESFc1ccc([C@@H]2C[C@]23CCN(Cc2ccccc2)C3)c(F)c1
InChIInChI=1S/C19H19F2N/c20-15-6-7-16(18(21)10-15)17-11-19(17)8-9-22(13-19)12-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-13H2/t17-,19-/m0/s1
InChIKeyUJBAQGGLYZPCMI-HKUYNNGSSA-N
MW299.36 g/mol
LogP4.34
Rot. Bonds3

About (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane

(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane (PubChem CID 121314970) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane
PubChem CID121314970
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane
SMILESFc1ccc([C@@H]2C[C@]23CCN(Cc2ccccc2)C3)c(F)c1
InChIInChI=1S/C19H19F2N/c20-15-6-7-16(18(21)10-15)17-11-19(17)8-9-22(13-19)12-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-13H2/t17-,19-/m0/s1
InChIKeyUJBAQGGLYZPCMI-HKUYNNGSSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
CID 57252552
CID 57252552
(2S,3S)-2-(2,4-difluorophenyl)-5-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-5-azaspiro[2.4]heptane;dihydrochloride
CID 121304747
5-[5-[3-[(2S,3R)-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptan-5-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 121304777
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol
CID 118962915
(Z)-1-[5-[3-[(2S,3S)-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptan-5-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1-sulfanyloxyprop-1-en-2-amine
CID 146714604
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
1-benzyl-3-(4-bromo-2,5-difluorophenyl)pyrrolidin-3-ol
CID 19915200
methyl (3S,4R)-1-benzyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate
CID 59131001
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane?
The IUPAC name of (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane (CID 121314970) is (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane is Fc1ccc([C@@H]2C[C@]23CCN(Cc2ccccc2)C3)c(F)c1.
What is the InChIKey of (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane?
The InChIKey is UJBAQGGLYZPCMI-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H19F2N/c20-15-6-7-16(18(21)10-15)17-11-19(17)8-9-22(13-19)12-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-13H2/t17-,19-/m0/s1.
What are the key properties of (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane?
(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane has a molecular weight of 299.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 121314970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).