1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

C14H18F5N3O2 — CID 58542371

IUPAC1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C14H18F5N3O2/c1-8-5-22(11(24)14(17,18)19)12(2-3-12)7-21(8)10(23)9-4-13(15,16)6-20-9/h8-9,20H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOFTQHJGEPGYQHJ-IUCAKERBSA-N
MW355.31 g/mol
LogP1.14
Rot. Bonds1

About 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 58542371) has the molecular formula C14H18F5N3O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
PubChem CID58542371
Molecular FormulaC14H18F5N3O2
Molecular Weight355.31 g/mol
Exact Mass355.13
IUPAC Name1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C14H18F5N3O2/c1-8-5-22(11(24)14(17,18)19)12(2-3-12)7-21(8)10(23)9-4-13(15,16)6-20-9/h8-9,20H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOFTQHJGEPGYQHJ-IUCAKERBSA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone 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 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (CID 58542371) is 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is C[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is OFTQHJGEPGYQHJ-IUCAKERBSA-N. The full InChI is InChI=1S/C14H18F5N3O2/c1-8-5-22(11(24)14(17,18)19)12(2-3-12)7-21(8)10(23)9-4-13(15,16)6-20-9/h8-9,20H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 355.31 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-7-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 58542371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).