N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide

C14H7F6NO2 — CID 168651705

IUPACN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
SMILESO=CNc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1
InChIInChI=1S/C14H7F6NO2/c15-9-5-8(21-6-22)1-2-12(9)23-13-10(16)3-7(4-11(13)17)14(18,19)20/h1-6H,(H,21,22)
InChIKeyRXYJSLYEYGOTBF-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.48
Rot. Bonds4

About N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide

N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide (PubChem CID 168651705) has the molecular formula C14H7F6NO2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
PubChem CID168651705
Molecular FormulaC14H7F6NO2
Molecular Weight335.20 g/mol
Exact Mass335.04
IUPAC NameN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
SMILESO=CNc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1
InChIInChI=1S/C14H7F6NO2/c15-9-5-8(21-6-22)1-2-12(9)23-13-10(16)3-7(4-11(13)17)14(18,19)20/h1-6H,(H,21,22)
InChIKeyRXYJSLYEYGOTBF-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]formamide
CID 168651528
N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-iodophenyl]formamide
CID 168652057
N-[3-fluoro-4-(trifluoromethyl)phenyl]formamide
CID 130369056
2-[[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluoroanilino]methylidene]propanedinitrile
CID 168545200
2-[[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-methoxyanilino]methylidene]propanedinitrile
CID 168545196
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168610420
1,3-difluoro-2-(2-fluoro-5-isocyanatophenoxy)-5-(trifluoromethyl)benzene
CID 169355662
N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide
CID 168652338
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
2-[[5-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]methylidene]propanedinitrile
CID 168545186

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide?
The IUPAC name of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide (CID 168651705) is N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide.
What is the SMILES notation for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide?
The canonical SMILES for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide is O=CNc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1.
What is the InChIKey of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide?
The InChIKey is RXYJSLYEYGOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO2/c15-9-5-8(21-6-22)1-2-12(9)23-13-10(16)3-7(4-11(13)17)14(18,19)20/h1-6H,(H,21,22).
What are the key properties of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide?
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide has a molecular weight of 335.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide is sourced from PubChem (CID 168651705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).