1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene

C15H27FO — CID 91170622

IUPAC1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene
SMILESCOCC(C)CCC(=CC=C(C)CF)C(C)C
InChIInChI=1S/C15H27FO/c1-12(2)15(8-6-13(3)10-16)9-7-14(4)11-17-5/h6,8,12,14H,7,9-11H2,1-5H3
InChIKeyAXCLVLAYGZDHJR-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.55
Rot. Bonds8

About 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene

1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene (PubChem CID 91170622) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene.

Molecular Properties

Compound Name1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene
PubChem CID91170622
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene
SMILESCOCC(C)CCC(=CC=C(C)CF)C(C)C
InChIInChI=1S/C15H27FO/c1-12(2)15(8-6-13(3)10-16)9-7-14(4)11-17-5/h6,8,12,14H,7,9-11H2,1-5H3
InChIKeyAXCLVLAYGZDHJR-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene 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

(2E,4E)-1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 21522013
1-Fluoro-3-(2-methyl-4-octoxybutyl)cyclohexa-1,3-diene
CID 23035035
1-Fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 54024531
(5R)-1-(4-methoxybutyl)-5-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177530
(6R)-2-(5-methoxypentyl)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177574
4-(3-Methoxypropyl)-5-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177645
1-(4-Methoxybutyl)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177666
1-Fluoro-4-(5-methoxypentyl)cyclohexa-1,3-diene
CID 68177755
(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
CID 88905328
3-(2-Fluoro-1-methoxypropan-2-yl)cyclohexene
CID 89383945
2-Fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene
CID 123464154
2-Fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene
CID 142506588

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene?
The IUPAC name of 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene (CID 91170622) is 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene.
What is the SMILES notation for 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene?
The canonical SMILES for 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene is COCC(C)CCC(=CC=C(C)CF)C(C)C.
What is the InChIKey of 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene?
The InChIKey is AXCLVLAYGZDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO/c1-12(2)15(8-6-13(3)10-16)9-7-14(4)11-17-5/h6,8,12,14H,7,9-11H2,1-5H3.
What are the key properties of 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene?
1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene has a molecular weight of 242.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene is sourced from PubChem (CID 91170622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).