2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride

C8H9Cl3FN — CID 170918813

IUPAC2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FN.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7H,4,12H2;1H
InChIKeyOKBHSWRRCFLMMX-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.38
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride

2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 170918813) has the molecular formula C8H9Cl3FN and a molecular weight of 244.52 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID170918813
Molecular FormulaC8H9Cl3FN
Molecular Weight244.52 g/mol
Exact Mass242.98
IUPAC Name2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FN.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7H,4,12H2;1H
InChIKeyOKBHSWRRCFLMMX-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride (CID 170918813) is 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride is Cl.NCC(F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is OKBHSWRRCFLMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7H,4,12H2;1H.
What are the key properties of 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride?
2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 244.52 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 170918813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).