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

C8H7ClF3NO — CID 118990752

IUPAC[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H,4,13H2
InChIKeyBROBRSPARBVPAV-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.70
Rot. Bonds2

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

[2-chloro-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 118990752) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [2-chloro-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID118990752
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H,4,13H2
InChIKeyBROBRSPARBVPAV-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
CID 167717521
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247
3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828895

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-5-(trifluoromethoxy)phenyl]methanamine (CID 118990752) is [2-chloro-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-5-(trifluoromethoxy)phenyl]methanamine is NCc1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of [2-chloro-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is BROBRSPARBVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H,4,13H2.
What are the key properties of [2-chloro-5-(trifluoromethoxy)phenyl]methanamine?
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 225.60 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 118990752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).