1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene

C15H14ClF — CID 54148188

IUPAC1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1-c1ccc(F)cc1
InChIInChI=1S/C15H14ClF/c1-10(2)15-13(4-3-5-14(15)16)11-6-8-12(17)9-7-11/h3-10H,1-2H3
InChIKeyDATAXTOKGFEGRL-UHFFFAOYSA-N
MW248.73 g/mol
LogP5.27
Rot. Bonds2

About 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene

1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene (PubChem CID 54148188) has the molecular formula C15H14ClF and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
PubChem CID54148188
Molecular FormulaC15H14ClF
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1-c1ccc(F)cc1
InChIInChI=1S/C15H14ClF/c1-10(2)15-13(4-3-5-14(15)16)11-6-8-12(17)9-7-11/h3-10H,1-2H3
InChIKeyDATAXTOKGFEGRL-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.73
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene (CID 54148188) is 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene is CC(C)c1c(Cl)cccc1-c1ccc(F)cc1.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene?
The InChIKey is DATAXTOKGFEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF/c1-10(2)15-13(4-3-5-14(15)16)11-6-8-12(17)9-7-11/h3-10H,1-2H3.
What are the key properties of 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene?
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene has a molecular weight of 248.73 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 54148188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).