4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane

C19H25FO — CID 141329838

IUPAC4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane
SMILESCc1cc(F)cc(C)c1C1CCC(=CC2CCOCC2)C1
InChIInChI=1S/C19H25FO/c1-13-9-18(20)10-14(2)19(13)17-4-3-16(12-17)11-15-5-7-21-8-6-15/h9-11,15,17H,3-8,12H2,1-2H3
InChIKeyZMLWCUWHGUALHV-UHFFFAOYSA-N
MW288.41 g/mol
LogP5.06
Rot. Bonds2

About 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane

4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane (PubChem CID 141329838) has the molecular formula C19H25FO and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane.

Molecular Properties

Compound Name4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane
PubChem CID141329838
Molecular FormulaC19H25FO
Molecular Weight288.41 g/mol
Exact Mass288.19
IUPAC Name4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane
SMILESCc1cc(F)cc(C)c1C1CCC(=CC2CCOCC2)C1
InChIInChI=1S/C19H25FO/c1-13-9-18(20)10-14(2)19(13)17-4-3-16(12-17)11-15-5-7-21-8-6-15/h9-11,15,17H,3-8,12H2,1-2H3
InChIKeyZMLWCUWHGUALHV-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane 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

6-iodo-2,4-dimethyl-3-(oxan-4-yl)pyridine
CID 167220079
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
(1S)-5-fluoro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130739092
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
3-(oxan-4-ylmethylidene)piperidine
CID 79880717
(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114241589
3-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]oxolane
CID 106879708
3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane
CID 166295319
4-[[3-(2,4,6-trimethylphenyl)cyclopentyl]methyl]oxane
CID 141329840
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 72706663
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane?
The IUPAC name of 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane (CID 141329838) is 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane.
What is the SMILES notation for 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane?
The canonical SMILES for 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane is Cc1cc(F)cc(C)c1C1CCC(=CC2CCOCC2)C1.
What is the InChIKey of 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane?
The InChIKey is ZMLWCUWHGUALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO/c1-13-9-18(20)10-14(2)19(13)17-4-3-16(12-17)11-15-5-7-21-8-6-15/h9-11,15,17H,3-8,12H2,1-2H3.
What are the key properties of 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane?
4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane has a molecular weight of 288.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluoro-2,6-dimethylphenyl)cyclopentylidene]methyl]oxane is sourced from PubChem (CID 141329838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).