1,7-dichloro-3-(trifluoromethyl)naphthalene

C11H5Cl2F3 — CID 90487867

IUPAC1,7-dichloro-3-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(Cl)c2cc(Cl)ccc2c1
InChIInChI=1S/C11H5Cl2F3/c12-8-2-1-6-3-7(11(14,15)16)4-10(13)9(6)5-8/h1-5H
InChIKeySTDOKIUYTOYPBV-UHFFFAOYSA-N
MW265.06 g/mol
LogP5.17
Rot. Bonds

About 1,7-dichloro-3-(trifluoromethyl)naphthalene

1,7-dichloro-3-(trifluoromethyl)naphthalene (PubChem CID 90487867) has the molecular formula C11H5Cl2F3 and a molecular weight of 265.06 g/mol. Its IUPAC name is 1,7-dichloro-3-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1,7-dichloro-3-(trifluoromethyl)naphthalene
PubChem CID90487867
Molecular FormulaC11H5Cl2F3
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name1,7-dichloro-3-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(Cl)c2cc(Cl)ccc2c1
InChIInChI=1S/C11H5Cl2F3/c12-8-2-1-6-3-7(11(14,15)16)4-10(13)9(6)5-8/h1-5H
InChIKeySTDOKIUYTOYPBV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.06
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,7-dichloro-3-(trifluoromethyl)naphthalene?
The IUPAC name of 1,7-dichloro-3-(trifluoromethyl)naphthalene (CID 90487867) is 1,7-dichloro-3-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1,7-dichloro-3-(trifluoromethyl)naphthalene?
The canonical SMILES for 1,7-dichloro-3-(trifluoromethyl)naphthalene is FC(F)(F)c1cc(Cl)c2cc(Cl)ccc2c1.
What is the InChIKey of 1,7-dichloro-3-(trifluoromethyl)naphthalene?
The InChIKey is STDOKIUYTOYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3/c12-8-2-1-6-3-7(11(14,15)16)4-10(13)9(6)5-8/h1-5H.
What are the key properties of 1,7-dichloro-3-(trifluoromethyl)naphthalene?
1,7-dichloro-3-(trifluoromethyl)naphthalene has a molecular weight of 265.06 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dichloro-3-(trifluoromethyl)naphthalene is sourced from PubChem (CID 90487867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).