(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

C20H28F2N2O2 — CID 166945759

IUPAC(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)C1CC3CCC(C1)C3(F)F)C2
InChIInChI=1S/C20H28F2N2O2/c1-18(2)10-19(9-15(23)16(18)25)5-6-24(11-19)17(26)12-7-13-3-4-14(8-12)20(13,21)22/h9,12-14H,3-8,10-11,23H2,1-2H3/t12?,13?,14?,19-/m1/s1
InChIKeyUNRWHKZJCNVJOH-QHWQOTQDSA-N
MW366.45 g/mol
LogP3.12
Rot. Bonds1

About (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 166945759) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID166945759
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)C1CC3CCC(C1)C3(F)F)C2
InChIInChI=1S/C20H28F2N2O2/c1-18(2)10-19(9-15(23)16(18)25)5-6-24(11-19)17(26)12-7-13-3-4-14(8-12)20(13,21)22/h9,12-14H,3-8,10-11,23H2,1-2H3/t12?,13?,14?,19-/m1/s1
InChIKeyUNRWHKZJCNVJOH-QHWQOTQDSA-N
XLogP3.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (CID 166945759) is (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is CC1(C)C[C@]2(C=C(N)C1=O)CCN(C(=O)C1CC3CCC(C1)C3(F)F)C2.
What is the InChIKey of (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is UNRWHKZJCNVJOH-QHWQOTQDSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-18(2)10-19(9-15(23)16(18)25)5-6-24(11-19)17(26)12-7-13-3-4-14(8-12)20(13,21)22/h9,12-14H,3-8,10-11,23H2,1-2H3/t12?,13?,14?,19-/m1/s1.
What are the key properties of (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
(5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 366.45 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-amino-2-(8,8-difluorobicyclo[3.2.1]octane-3-carbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 166945759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).