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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Related Compounds

1-chloro-7-methyl-3-(trifluoromethyl)naphthalene
CID 90487855
1,3-dichloro-6-(trifluoromethyl)phenanthrene
CID 54512088
2,4,8-trichloro-6-(trifluoromethyl)quinoline
CID 156808230
3,10-bis(trifluoromethyl)picene
CID 88902241
2,3,6-trichlorophenanthrene
CID 123278920
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487

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).