[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine

C9H8F5NO2 — CID 170998587

IUPAC[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H8F5NO2/c10-8(11)16-6-2-1-5(4-15)3-7(6)17-9(12,13)14/h1-3,8H,4,15H2
InChIKeyZPVMWXPJMLUWQD-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.65
Rot. Bonds4

About [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine

[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 170998587) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
PubChem CID170998587
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H8F5NO2/c10-8(11)16-6-2-1-5(4-15)3-7(6)17-9(12,13)14/h1-3,8H,4,15H2
InChIKeyZPVMWXPJMLUWQD-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-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanal
CID 134622006
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
CID 170997927
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-chloro-1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-2-one
CID 166640615
3-(difluoromethoxy)-4-(trifluoromethoxy)benzonitrile
CID 121228509
[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
CID 90155936
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine (CID 170998587) is [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine is NCc1ccc(OC(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZPVMWXPJMLUWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c10-8(11)16-6-2-1-5(4-15)3-7(6)17-9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine?
[4-(difluoromethoxy)-3-(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 [4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 170998587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).