1-ethyl-4-(4-fluorophenyl)benzene

C14H13F — CID 21432911

IUPAC1-ethyl-4-(4-fluorophenyl)benzene
SMILESCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13F/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
InChIKeyXEZNQQZDLUYHOA-UHFFFAOYSA-N
MW200.26 g/mol
LogP4.06
Rot. Bonds2

About 1-ethyl-4-(4-fluorophenyl)benzene

1-ethyl-4-(4-fluorophenyl)benzene (PubChem CID 21432911) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-fluorophenyl)benzene
PubChem CID21432911
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name1-ethyl-4-(4-fluorophenyl)benzene
SMILESCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13F/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
InChIKeyXEZNQQZDLUYHOA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluorophenyl)benzene?
The IUPAC name of 1-ethyl-4-(4-fluorophenyl)benzene (CID 21432911) is 1-ethyl-4-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-fluorophenyl)benzene?
The canonical SMILES for 1-ethyl-4-(4-fluorophenyl)benzene is CCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-(4-fluorophenyl)benzene?
The InChIKey is XEZNQQZDLUYHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-4-(4-fluorophenyl)benzene?
1-ethyl-4-(4-fluorophenyl)benzene has a molecular weight of 200.26 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluorophenyl)benzene is sourced from PubChem (CID 21432911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).