8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene

C13H14ClF — CID 169127587

IUPAC8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
SMILESCC(C)C1=c2c(Cl)c(F)ccc2=CCC1
InChIInChI=1S/C13H14ClF/c1-8(2)10-5-3-4-9-6-7-11(15)13(14)12(9)10/h4,6-8H,3,5H2,1-2H3
InChIKeyYTQHAOLLBIYRMU-UHFFFAOYSA-N
MW224.71 g/mol
LogP2.86
Rot. Bonds1

About 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene

8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene (PubChem CID 169127587) has the molecular formula C13H14ClF and a molecular weight of 224.71 g/mol. Its IUPAC name is 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
PubChem CID169127587
Molecular FormulaC13H14ClF
Molecular Weight224.71 g/mol
Exact Mass224.08
IUPAC Name8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
SMILESCC(C)C1=c2c(Cl)c(F)ccc2=CCC1
InChIInChI=1S/C13H14ClF/c1-8(2)10-5-3-4-9-6-7-11(15)13(14)12(9)10/h4,6-8H,3,5H2,1-2H3
InChIKeyYTQHAOLLBIYRMU-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene?
The IUPAC name of 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene (CID 169127587) is 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene.
What is the SMILES notation for 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene?
The canonical SMILES for 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene is CC(C)C1=c2c(Cl)c(F)ccc2=CCC1.
What is the InChIKey of 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene?
The InChIKey is YTQHAOLLBIYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF/c1-8(2)10-5-3-4-9-6-7-11(15)13(14)12(9)10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene?
8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene has a molecular weight of 224.71 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene is sourced from PubChem (CID 169127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).