2-(3,5-difluorophenoxy)ethanamine;hydrochloride

C8H10ClF2NO — CID 66980622

IUPAC2-(3,5-difluorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO.ClH/c9-6-3-7(10)5-8(4-6)12-2-1-11;/h3-5H,1-2,11H2;1H
InChIKeyUXFBRXQUBAAQJO-UHFFFAOYSA-N
MW209.62 g/mol
LogP1.72
Rot. Bonds3

About 2-(3,5-difluorophenoxy)ethanamine;hydrochloride

2-(3,5-difluorophenoxy)ethanamine;hydrochloride (PubChem CID 66980622) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)ethanamine;hydrochloride
PubChem CID66980622
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name2-(3,5-difluorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO.ClH/c9-6-3-7(10)5-8(4-6)12-2-1-11;/h3-5H,1-2,11H2;1H
InChIKeyUXFBRXQUBAAQJO-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
CID 70979658
2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine
CID 156647657
1-(4-chlorobutoxy)-3,5-difluorobenzene
CID 62785225
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
3-(3,5-difluorophenoxy)propanenitrile
CID 62784661
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
CID 103067211
3-fluoro-5-propoxyaniline
CID 80752315
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
CID 176730678
3,5-bis(2-aminoethoxy)benzaldehyde
CID 89220527

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(3,5-difluorophenoxy)ethanamine;hydrochloride (CID 66980622) is 2-(3,5-difluorophenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-difluorophenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-difluorophenoxy)ethanamine;hydrochloride is Cl.NCCOc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)ethanamine;hydrochloride?
The InChIKey is UXFBRXQUBAAQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO.ClH/c9-6-3-7(10)5-8(4-6)12-2-1-11;/h3-5H,1-2,11H2;1H.
What are the key properties of 2-(3,5-difluorophenoxy)ethanamine;hydrochloride?
2-(3,5-difluorophenoxy)ethanamine;hydrochloride has a molecular weight of 209.62 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 66980622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).