2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C9H10Cl2F3NO — CID 168679987

IUPAC2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO.ClH/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;/h1-2,5H,3-4,14H2;1H
InChIKeyOQLUJQQQVJXMRY-UHFFFAOYSA-N
MW276.09 g/mol
LogP3.12
Rot. Bonds3

About 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 168679987) has the molecular formula C9H10Cl2F3NO and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID168679987
Molecular FormulaC9H10Cl2F3NO
Molecular Weight276.09 g/mol
Exact Mass275.01
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO.ClH/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;/h1-2,5H,3-4,14H2;1H
InChIKeyOQLUJQQQVJXMRY-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409125
1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
CID 154320529
2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
CID 163408289
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
CID 59627189
2-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]prop-2-enoic acid
CID 166364773
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 168679987) is 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is OQLUJQQQVJXMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO.ClH/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;/h1-2,5H,3-4,14H2;1H.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 276.09 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 168679987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).