(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one

C17H27FO2 — CID 57120281

IUPAC(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one
SMILESCCCC[C@@](C)(F)C(=O)C=C[C@@H]1[C@H]2CCO[C@H]2C[C@H]1C
InChIInChI=1S/C17H27FO2/c1-4-5-9-17(3,18)16(19)7-6-13-12(2)11-15-14(13)8-10-20-15/h6-7,12-15H,4-5,8-11H2,1-3H3/t12-,13+,14-,15+,17-/m1/s1
InChIKeyJHPVIRDCNFFZED-LBKYZSNHSA-N
MW282.40 g/mol
LogP4.09
Rot. Bonds6

About (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one

(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one (PubChem CID 57120281) has the molecular formula C17H27FO2 and a molecular weight of 282.40 g/mol. Its IUPAC name is (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one.

Molecular Properties

Compound Name(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one
PubChem CID57120281
Molecular FormulaC17H27FO2
Molecular Weight282.40 g/mol
Exact Mass282.20
IUPAC Name(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one
SMILESCCCC[C@@](C)(F)C(=O)C=C[C@@H]1[C@H]2CCO[C@H]2C[C@H]1C
InChIInChI=1S/C17H27FO2/c1-4-5-9-17(3,18)16(19)7-6-13-12(2)11-15-14(13)8-10-20-15/h6-7,12-15H,4-5,8-11H2,1-3H3/t12-,13+,14-,15+,17-/m1/s1
InChIKeyJHPVIRDCNFFZED-LBKYZSNHSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-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 (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one?
The IUPAC name of (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one (CID 57120281) is (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one.
What is the SMILES notation for (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one?
The canonical SMILES for (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one is CCCC[C@@](C)(F)C(=O)C=C[C@@H]1[C@H]2CCO[C@H]2C[C@H]1C.
What is the InChIKey of (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one?
The InChIKey is JHPVIRDCNFFZED-LBKYZSNHSA-N. The full InChI is InChI=1S/C17H27FO2/c1-4-5-9-17(3,18)16(19)7-6-13-12(2)11-15-14(13)8-10-20-15/h6-7,12-15H,4-5,8-11H2,1-3H3/t12-,13+,14-,15+,17-/m1/s1.
What are the key properties of (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one?
(4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one has a molecular weight of 282.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3aR,4R,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluoro-4-methyloct-1-en-3-one is sourced from PubChem (CID 57120281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).