1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C14H23FO3 — CID 91003024

IUPAC1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCCC(C)(F)COCC1OC(=O)C2CC(C)CC12
InChIInChI=1S/C14H23FO3/c1-4-14(3,15)8-17-7-12-10-5-9(2)6-11(10)13(16)18-12/h9-12H,4-8H2,1-3H3
InChIKeyVIPAZLMNNVNGKY-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.73
Rot. Bonds5

About 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 91003024) has the molecular formula C14H23FO3 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID91003024
Molecular FormulaC14H23FO3
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCCC(C)(F)COCC1OC(=O)C2CC(C)CC12
InChIInChI=1S/C14H23FO3/c1-4-14(3,15)8-17-7-12-10-5-9(2)6-11(10)13(16)18-12/h9-12H,4-8H2,1-3H3
InChIKeyVIPAZLMNNVNGKY-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-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

Related Compounds

(3R,3aR,6aS)-3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 44523416
3-(3-Methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 45480934
1-[(3-Fluoro-3,4-dimethyloxetan-2-yl)oxymethyl]-5,6-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 123421424
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
methyl 3-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]propanoate
CID 134979225
Ethyl 2-(3,3,6-trimethyl-1-oxo-3a,4,5,6a-tetrahydrocyclopenta[c]furan-6-yl)acetate
CID 284595
1H-Cyclopenta[c]furan-1-one, hexahydro-3,6,6-trimethyl-
CID 557207
2-(3,3-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl)acetic acid
CID 129994916
4,6-Diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 22979008
6-Methyl-4-propyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 57752241
(3aS,4R,5S,6aR)-4-(methoxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 57932311
(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 58620319

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 91003024) is 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is CCC(C)(F)COCC1OC(=O)C2CC(C)CC12.
What is the InChIKey of 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is VIPAZLMNNVNGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO3/c1-4-14(3,15)8-17-7-12-10-5-9(2)6-11(10)13(16)18-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 258.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 91003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).