2-chloro-1-fluoro-8-propan-2-ylnaphthalene

C13H12ClF — CID 164922415

IUPAC2-chloro-1-fluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccc(Cl)c(F)c12
InChIInChI=1S/C13H12ClF/c1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-8H,1-2H3
InChIKeyQIGOWLIOQFFAJS-UHFFFAOYSA-N
MW222.69 g/mol
LogP4.76
Rot. Bonds1

About 2-chloro-1-fluoro-8-propan-2-ylnaphthalene

2-chloro-1-fluoro-8-propan-2-ylnaphthalene (PubChem CID 164922415) has the molecular formula C13H12ClF and a molecular weight of 222.69 g/mol. Its IUPAC name is 2-chloro-1-fluoro-8-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-chloro-1-fluoro-8-propan-2-ylnaphthalene
PubChem CID164922415
Molecular FormulaC13H12ClF
Molecular Weight222.69 g/mol
Exact Mass222.06
IUPAC Name2-chloro-1-fluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccc(Cl)c(F)c12
InChIInChI=1S/C13H12ClF/c1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-8H,1-2H3
InChIKeyQIGOWLIOQFFAJS-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
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1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene
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1-(3-chloro-2-fluorophenyl)-N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-8-propan-2-ylnaphthalene?
The IUPAC name of 2-chloro-1-fluoro-8-propan-2-ylnaphthalene (CID 164922415) is 2-chloro-1-fluoro-8-propan-2-ylnaphthalene.
What is the SMILES notation for 2-chloro-1-fluoro-8-propan-2-ylnaphthalene?
The canonical SMILES for 2-chloro-1-fluoro-8-propan-2-ylnaphthalene is CC(C)c1cccc2ccc(Cl)c(F)c12.
What is the InChIKey of 2-chloro-1-fluoro-8-propan-2-ylnaphthalene?
The InChIKey is QIGOWLIOQFFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF/c1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-8H,1-2H3.
What are the key properties of 2-chloro-1-fluoro-8-propan-2-ylnaphthalene?
2-chloro-1-fluoro-8-propan-2-ylnaphthalene has a molecular weight of 222.69 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-8-propan-2-ylnaphthalene is sourced from PubChem (CID 164922415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).