[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine

C9H8F5NO2 — CID 167715263

IUPAC[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C9H8F5NO2/c10-8(11)16-7-2-1-6(3-5(7)4-15)17-9(12,13)14/h1-3,8H,4,15H2
InChIKeyHUZKMBDUAPANAY-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.65
Rot. Bonds4

About [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine

[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 167715263) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID167715263
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C9H8F5NO2/c10-8(11)16-7-2-1-6(3-5(7)4-15)17-9(12,13)14/h1-3,8H,4,15H2
InChIKeyHUZKMBDUAPANAY-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoic acid
CID 134621137
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
ethyl 3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632352
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587
2-(bromomethyl)-4-(difluoromethoxy)-1-(trifluoromethoxy)benzene
CID 170997723
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
CID 90155936
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine (CID 167715263) is [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine is NCc1cc(OC(F)(F)F)ccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is HUZKMBDUAPANAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c10-8(11)16-7-2-1-6(3-5(7)4-15)17-9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine?
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 257.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 167715263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).