(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride

C8H9Cl2F2N — CID 171224143

IUPAC(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-1-5(8(12)4-10)2-7(11)3-6;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyGSABROUDHFJXAB-QRPNPIFTSA-N
MW228.07 g/mol
LogP2.87
Rot. Bonds2

About (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171224143) has the molecular formula C8H9Cl2F2N and a molecular weight of 228.07 g/mol. Its IUPAC name is (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171224143
Molecular FormulaC8H9Cl2F2N
Molecular Weight228.07 g/mol
Exact Mass227.01
IUPAC Name(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-1-5(8(12)4-10)2-7(11)3-6;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyGSABROUDHFJXAB-QRPNPIFTSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204574
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
2-azido-1-(3-chloro-5-fluorophenyl)ethanamine
CID 175160008
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
(1S)-1-(3-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311631
(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171230517
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride (CID 171224143) is (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1cc(F)cc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is GSABROUDHFJXAB-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H8ClF2N.ClH/c9-6-1-5(8(12)4-10)2-7(11)3-6;/h1-3,8H,4,12H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 228.07 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171224143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).