(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine

C8H8Cl2FN — CID 124707721

IUPAC(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2FN/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,12H2/t8-/m1/s1
InChIKeyRLTAXKIWMZSNSO-MRVPVSSYSA-N
MW208.06 g/mol
LogP2.96
Rot. Bonds2

About (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine

(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine (PubChem CID 124707721) has the molecular formula C8H8Cl2FN and a molecular weight of 208.06 g/mol. Its IUPAC name is (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
PubChem CID124707721
Molecular FormulaC8H8Cl2FN
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC Name(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2FN/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,12H2/t8-/m1/s1
InChIKeyRLTAXKIWMZSNSO-MRVPVSSYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024184
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine (CID 124707721) is (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine is N[C@H](CF)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine?
The InChIKey is RLTAXKIWMZSNSO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8Cl2FN/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,4,12H2/t8-/m1/s1.
What are the key properties of (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine?
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine has a molecular weight of 208.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 124707721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).