2-(trifluoromethoxy)ethanamine;hydrochloride

C3H7ClF3NO — CID 44890807

IUPAC2-(trifluoromethoxy)ethanamine;hydrochloride
SMILESCl.NCCOC(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
InChIKeyPKYWPFQIIQKHCB-UHFFFAOYSA-N
MW165.54 g/mol
LogP0.90
Rot. Bonds2

About 2-(trifluoromethoxy)ethanamine;hydrochloride

2-(trifluoromethoxy)ethanamine;hydrochloride (PubChem CID 44890807) has the molecular formula C3H7ClF3NO and a molecular weight of 165.54 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethanamine;hydrochloride
PubChem CID44890807
Molecular FormulaC3H7ClF3NO
Molecular Weight165.54 g/mol
Exact Mass165.02
IUPAC Name2-(trifluoromethoxy)ethanamine;hydrochloride
SMILESCl.NCCOC(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
InChIKeyPKYWPFQIIQKHCB-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.54
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
2-(Trifluoromethoxy)ethanamine
CID 10558645
2-(2,2,2-Trifluoroethoxy)ethanamine hydrochloride
CID 17385258
2-(2,2,2-Trifluoroethoxy)ethylazanium
CID 2060296
2-(2,2-Difluoroethoxy)ethan-1-amine
CID 58685066
2-(Fluoromethoxy)ethan-1-amine
CID 86014792
1-(Trifluoromethoxy)ethanamine;hydrochloride
CID 117602367
2-(Difluoromethoxy)ethane-1,1-diamine
CID 134422080
2-(Difluoromethoxy)ethylazanium;chloride
CID 137379967

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(trifluoromethoxy)ethanamine;hydrochloride (CID 44890807) is 2-(trifluoromethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(trifluoromethoxy)ethanamine;hydrochloride is Cl.NCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethanamine;hydrochloride?
The InChIKey is PKYWPFQIIQKHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H.
What are the key properties of 2-(trifluoromethoxy)ethanamine;hydrochloride?
2-(trifluoromethoxy)ethanamine;hydrochloride has a molecular weight of 165.54 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 44890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).