N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine

C8H7ClF3NO — CID 134433954

IUPACN-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
SMILESCNOc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c1-13-14-7-3-5(8(10,11)12)2-6(9)4-7/h2-4,13H,1H3
InChIKeyGHSQWYBKUCISOK-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.87
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine

N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine (PubChem CID 134433954) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
PubChem CID134433954
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
SMILESCNOc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c1-13-14-7-3-5(8(10,11)12)2-6(9)4-7/h2-4,13H,1H3
InChIKeyGHSQWYBKUCISOK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine (CID 134433954) is N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine is CNOc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine?
The InChIKey is GHSQWYBKUCISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-13-14-7-3-5(8(10,11)12)2-6(9)4-7/h2-4,13H,1H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine?
N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine has a molecular weight of 225.60 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine is sourced from PubChem (CID 134433954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).