(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride

C8H10ClF2N — CID 53484729

IUPAC(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C8H9F2N.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyNQFUIZOIKVFLIM-JEDNCBNOSA-N
MW193.62 g/mol
LogP2.41
Rot. Bonds1

About (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride

(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride (PubChem CID 53484729) has the molecular formula C8H10ClF2N and a molecular weight of 193.62 g/mol. Its IUPAC name is (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
PubChem CID53484729
Molecular FormulaC8H10ClF2N
Molecular Weight193.62 g/mol
Exact Mass193.05
IUPAC Name(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C8H9F2N.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyNQFUIZOIKVFLIM-JEDNCBNOSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82284502
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride (CID 53484729) is (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride is C[C@H](N)c1cc(F)ccc1F.Cl.
What is the InChIKey of (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride?
The InChIKey is NQFUIZOIKVFLIM-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9F2N.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride?
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride has a molecular weight of 193.62 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 53484729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).