1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene

C18H13F3O3S — CID 67305197

IUPAC1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene
SMILESCc1ccc2ccc(F)cc2c1Oc1cc(F)c(S(C)(=O)=O)cc1F
InChIInChI=1S/C18H13F3O3S/c1-10-3-4-11-5-6-12(19)7-13(11)18(10)24-16-8-15(21)17(9-14(16)20)25(2,22)23/h3-9H,1-2H3
InChIKeyGCHUIYBXDPDAEF-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.76
Rot. Bonds3

About 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene

1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene (PubChem CID 67305197) has the molecular formula C18H13F3O3S and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene
PubChem CID67305197
Molecular FormulaC18H13F3O3S
Molecular Weight366.36 g/mol
Exact Mass366.05
IUPAC Name1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene
SMILESCc1ccc2ccc(F)cc2c1Oc1cc(F)c(S(C)(=O)=O)cc1F
InChIInChI=1S/C18H13F3O3S/c1-10-3-4-11-5-6-12(19)7-13(11)18(10)24-16-8-15(21)17(9-14(16)20)25(2,22)23/h3-9H,1-2H3
InChIKeyGCHUIYBXDPDAEF-UHFFFAOYSA-N
XLogP4.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Difluoro-4-(4-methoxy-3-methylpheny)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10739009
3-(Naphthalen-2-yloxy)-benzo[b]thiophene 1,1-dioxide
CID 950756
Anthracen-9-yl 4-methoxybenzenesulfonate
CID 23729779
1,2-Difluoro-3-(4-methoxy-3-methylphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394204
4-(difluoromethylsulfonyl)-7-(3,5-difluorophenoxy)-1H-indene
CID 117942501
4-Methoxyphenyl 4-methoxy-1-naphthyl sulfone
CID 16226212
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-4H-1-benzopyran-4-thione
CID 18324932
3-(2-Fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18325010
2-(4''-Methanesulfonyl-biphenyl-2-yl)-6-methoxy-naphthalene
CID 44383630
1,4-Bis[(4-methoxyphenyl)sulfonylmethyl]naphthalene
CID 156015564
1-(4-{[4-(1-Naphthyloxy)phenyl]sulfonyl}phenoxy)naphthalene
CID 2024830
2-(4-Fluorophenyl)sulfonylbenzo[f]chromen-3-one
CID 2135908

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene?
The IUPAC name of 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene (CID 67305197) is 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene.
What is the SMILES notation for 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene?
The canonical SMILES for 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene is Cc1ccc2ccc(F)cc2c1Oc1cc(F)c(S(C)(=O)=O)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene?
The InChIKey is GCHUIYBXDPDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O3S/c1-10-3-4-11-5-6-12(19)7-13(11)18(10)24-16-8-15(21)17(9-14(16)20)25(2,22)23/h3-9H,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene?
1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene has a molecular weight of 366.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene is sourced from PubChem (CID 67305197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).