2-fluoro-1-methyl-4-(4-methylpentoxy)benzene

C13H19FO — CID 107171422

IUPAC2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
SMILESCc1ccc(OCCCC(C)C)cc1F
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-12-7-6-11(3)13(14)9-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyGVSLJOWQXPUSLP-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.95
Rot. Bonds5

About 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene

2-fluoro-1-methyl-4-(4-methylpentoxy)benzene (PubChem CID 107171422) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
PubChem CID107171422
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
SMILESCc1ccc(OCCCC(C)C)cc1F
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-12-7-6-11(3)13(14)9-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyGVSLJOWQXPUSLP-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene?
The IUPAC name of 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene (CID 107171422) is 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene is Cc1ccc(OCCCC(C)C)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene?
The InChIKey is GVSLJOWQXPUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-10(2)5-4-8-15-12-7-6-11(3)13(14)9-12/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene?
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene has a molecular weight of 210.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(4-methylpentoxy)benzene is sourced from PubChem (CID 107171422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).