1-(1-fluoroethyl)-3-(4-methylphenyl)benzene

C15H15F — CID 170974914

IUPAC1-(1-fluoroethyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C(C)F)c2)cc1
InChIInChI=1S/C15H15F/c1-11-6-8-13(9-7-11)15-5-3-4-14(10-15)12(2)16/h3-10,12H,1-2H3
InChIKeyDNPWNQBLJLOASR-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.69
Rot. Bonds2

About 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene

1-(1-fluoroethyl)-3-(4-methylphenyl)benzene (PubChem CID 170974914) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(1-fluoroethyl)-3-(4-methylphenyl)benzene
PubChem CID170974914
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name1-(1-fluoroethyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C(C)F)c2)cc1
InChIInChI=1S/C15H15F/c1-11-6-8-13(9-7-11)15-5-3-4-14(10-15)12(2)16/h3-10,12H,1-2H3
InChIKeyDNPWNQBLJLOASR-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene?
The IUPAC name of 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene (CID 170974914) is 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(C(C)F)c2)cc1.
What is the InChIKey of 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene?
The InChIKey is DNPWNQBLJLOASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-11-6-8-13(9-7-11)15-5-3-4-14(10-15)12(2)16/h3-10,12H,1-2H3.
What are the key properties of 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene?
1-(1-fluoroethyl)-3-(4-methylphenyl)benzene has a molecular weight of 214.28 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-3-(4-methylphenyl)benzene is sourced from PubChem (CID 170974914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).