1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene

C13H19FO — CID 135141224

IUPAC1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
SMILESCCCC(C)(C)OCc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-4-9-13(2,3)15-10-11-5-7-12(14)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyDFODINQRNITDBH-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.92
Rot. Bonds5

About 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene

1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene (PubChem CID 135141224) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
PubChem CID135141224
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
SMILESCCCC(C)(C)OCc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-4-9-13(2,3)15-10-11-5-7-12(14)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyDFODINQRNITDBH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141219
2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
CID 65053286
2-methylhexan-2-yloxymethylbenzene
CID 134222440
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
CID 66049999
4-methylheptan-4-yloxymethylbenzene
CID 20782055
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
1-fluoro-4-propylbenzene
CID 2737505
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
1-fluoro-4-(2,2,2-triethoxyethyl)benzene
CID 10060972
butane;(4-fluorophenyl)methoxy-oxido-oxophosphanium
CID 22676643
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene (CID 135141224) is 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene is CCCC(C)(C)OCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene?
The InChIKey is DFODINQRNITDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-4-9-13(2,3)15-10-11-5-7-12(14)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene?
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene has a molecular weight of 210.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene is sourced from PubChem (CID 135141224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).