(1R)-1-(3-chloro-2-fluorophenyl)ethanamine

C8H9ClFN — CID 45072168

IUPAC(1R)-1-(3-chloro-2-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeySCEUCESYXQXKOY-RXMQYKEDSA-N
MW173.62 g/mol
LogP2.50
Rot. Bonds1

About (1R)-1-(3-chloro-2-fluorophenyl)ethanamine

(1R)-1-(3-chloro-2-fluorophenyl)ethanamine (PubChem CID 45072168) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2-fluorophenyl)ethanamine
PubChem CID45072168
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name(1R)-1-(3-chloro-2-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeySCEUCESYXQXKOY-RXMQYKEDSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)ethanamine (CID 45072168) is (1R)-1-(3-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-2-fluorophenyl)ethanamine is C[C@@H](N)c1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-(3-chloro-2-fluorophenyl)ethanamine?
The InChIKey is SCEUCESYXQXKOY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-2-fluorophenyl)ethanamine?
(1R)-1-(3-chloro-2-fluorophenyl)ethanamine has a molecular weight of 173.62 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 45072168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).