ethane;1-fluoro-4-(4-methoxybutyl)benzene

C13H21FO — CID 143010320

IUPACethane;1-fluoro-4-(4-methoxybutyl)benzene
SMILESCC.COCCCCc1ccc(F)cc1
InChIInChI=1S/C11H15FO.C2H6/c1-13-9-3-2-4-10-5-7-11(12)8-6-10;1-2/h5-8H,2-4,9H2,1H3;1-2H3
InChIKeyYDEBEAVOOCYLGS-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.82
Rot. Bonds5

About ethane;1-fluoro-4-(4-methoxybutyl)benzene

ethane;1-fluoro-4-(4-methoxybutyl)benzene (PubChem CID 143010320) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is ethane;1-fluoro-4-(4-methoxybutyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-(4-methoxybutyl)benzene
PubChem CID143010320
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Nameethane;1-fluoro-4-(4-methoxybutyl)benzene
SMILESCC.COCCCCc1ccc(F)cc1
InChIInChI=1S/C11H15FO.C2H6/c1-13-9-3-2-4-10-5-7-11(12)8-6-10;1-2/h5-8H,2-4,9H2,1H3;1-2H3
InChIKeyYDEBEAVOOCYLGS-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.82
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

ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
7-methoxyheptylbenzene
CID 54276867
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
1-[2-(4-fluorophenyl)ethenyl]-3,5-bis(3-methoxypropyl)benzene
CID 90827739
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
1-fluoro-4-(4-methoxybutan-2-yl)benzene;3-methoxypropylbenzene
CID 159983929
(E)-N-[4-(4-fluorophenyl)butoxy]-3,3-dimethylbutan-2-imine
CID 59409528

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-(4-methoxybutyl)benzene?
The IUPAC name of ethane;1-fluoro-4-(4-methoxybutyl)benzene (CID 143010320) is ethane;1-fluoro-4-(4-methoxybutyl)benzene.
What is the SMILES notation for ethane;1-fluoro-4-(4-methoxybutyl)benzene?
The canonical SMILES for ethane;1-fluoro-4-(4-methoxybutyl)benzene is CC.COCCCCc1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-(4-methoxybutyl)benzene?
The InChIKey is YDEBEAVOOCYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO.C2H6/c1-13-9-3-2-4-10-5-7-11(12)8-6-10;1-2/h5-8H,2-4,9H2,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-(4-methoxybutyl)benzene?
ethane;1-fluoro-4-(4-methoxybutyl)benzene has a molecular weight of 212.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-(4-methoxybutyl)benzene is sourced from PubChem (CID 143010320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).