1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene

C14H7F6NO2 — CID 167046272

IUPAC1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene
SMILESO=NCc1cc(F)c(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H7F6NO2/c15-10-2-1-8(5-9(10)14(18,19)20)23-13-11(16)3-7(6-21-22)4-12(13)17/h1-5H,6H2
InChIKeyPXOQLIDCVJDZRW-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.18
Rot. Bonds4

About 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene

1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene (PubChem CID 167046272) has the molecular formula C14H7F6NO2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene
PubChem CID167046272
Molecular FormulaC14H7F6NO2
Molecular Weight335.20 g/mol
Exact Mass335.04
IUPAC Name1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene
SMILESO=NCc1cc(F)c(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H7F6NO2/c15-10-2-1-8(5-9(10)14(18,19)20)23-13-11(16)3-7(6-21-22)4-12(13)17/h1-5H,6H2
InChIKeyPXOQLIDCVJDZRW-UHFFFAOYSA-N
XLogP5.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene?
The IUPAC name of 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene (CID 167046272) is 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene?
The canonical SMILES for 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene is O=NCc1cc(F)c(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene?
The InChIKey is PXOQLIDCVJDZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO2/c15-10-2-1-8(5-9(10)14(18,19)20)23-13-11(16)3-7(6-21-22)4-12(13)17/h1-5H,6H2.
What are the key properties of 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene?
1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene has a molecular weight of 335.20 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene is sourced from PubChem (CID 167046272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).