1-(butoxymethyl)-3-fluorobenzene

C11H15FO — CID 18726803

IUPAC1-(butoxymethyl)-3-fluorobenzene
SMILESCCCCOCc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8H,2-3,7,9H2,1H3
InChIKeyYPQRWVKXJWEPMG-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.14
Rot. Bonds5

About 1-(butoxymethyl)-3-fluorobenzene

1-(butoxymethyl)-3-fluorobenzene (PubChem CID 18726803) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(butoxymethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(butoxymethyl)-3-fluorobenzene
PubChem CID18726803
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-(butoxymethyl)-3-fluorobenzene
SMILESCCCCOCc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8H,2-3,7,9H2,1H3
InChIKeyYPQRWVKXJWEPMG-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.14
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

Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
Benzyl butyrate
CID 7650
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
Benzyl isobutyrate
CID 7646
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl crotonate, (E)-
CID 5356259

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-3-fluorobenzene?
The IUPAC name of 1-(butoxymethyl)-3-fluorobenzene (CID 18726803) is 1-(butoxymethyl)-3-fluorobenzene.
What is the SMILES notation for 1-(butoxymethyl)-3-fluorobenzene?
The canonical SMILES for 1-(butoxymethyl)-3-fluorobenzene is CCCCOCc1cccc(F)c1.
What is the InChIKey of 1-(butoxymethyl)-3-fluorobenzene?
The InChIKey is YPQRWVKXJWEPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of 1-(butoxymethyl)-3-fluorobenzene?
1-(butoxymethyl)-3-fluorobenzene has a molecular weight of 182.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-3-fluorobenzene is sourced from PubChem (CID 18726803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).