1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene

C17H19FO — CID 71092074

IUPAC1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
SMILESCc1ccc(C(C)OCc2ccc(CF)cc2)cc1
InChIInChI=1S/C17H19FO/c1-13-3-9-17(10-4-13)14(2)19-12-16-7-5-15(11-18)6-8-16/h3-10,14H,11-12H2,1-2H3
InChIKeyUBBRSUMEXPQEBK-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.74
Rot. Bonds5

About 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene

1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene (PubChem CID 71092074) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
PubChem CID71092074
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
SMILESCc1ccc(C(C)OCc2ccc(CF)cc2)cc1
InChIInChI=1S/C17H19FO/c1-13-3-9-17(10-4-13)14(2)19-12-16-7-5-15(11-18)6-8-16/h3-10,14H,11-12H2,1-2H3
InChIKeyUBBRSUMEXPQEBK-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene
CID 90732289
1-(difluoromethoxymethyl)-4-methylbenzene
CID 162716622
1-(difluoromethoxymethyl)-4-methylbenzene;ethane
CID 178015082
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
1-[1-(3-bromopropoxy)ethyl]-4-methylbenzene
CID 134571150
ethane;(3S)-3-[(4-methylphenyl)methoxy]hexan-1-amine
CID 169195636
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
CID 71492889
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene?
The IUPAC name of 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene (CID 71092074) is 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene.
What is the SMILES notation for 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene?
The canonical SMILES for 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene is Cc1ccc(C(C)OCc2ccc(CF)cc2)cc1.
What is the InChIKey of 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene?
The InChIKey is UBBRSUMEXPQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-13-3-9-17(10-4-13)14(2)19-12-16-7-5-15(11-18)6-8-16/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene?
1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene has a molecular weight of 258.34 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene is sourced from PubChem (CID 71092074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).