1-(4-chlorophenyl)-2-fluoroethanamine

C8H9ClFN — CID 83816513

IUPAC1-(4-chlorophenyl)-2-fluoroethanamine
SMILESNC(CF)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClFN/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,11H2
InChIKeyZAGNGPPMPCQXBW-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.31
Rot. Bonds2

About 1-(4-chlorophenyl)-2-fluoroethanamine

1-(4-chlorophenyl)-2-fluoroethanamine (PubChem CID 83816513) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoroethanamine
PubChem CID83816513
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name1-(4-chlorophenyl)-2-fluoroethanamine
SMILESNC(CF)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClFN/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,11H2
InChIKeyZAGNGPPMPCQXBW-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 43184844
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoroethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoroethanamine (CID 83816513) is 1-(4-chlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoroethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoroethanamine is NC(CF)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoroethanamine?
The InChIKey is ZAGNGPPMPCQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-fluoroethanamine?
1-(4-chlorophenyl)-2-fluoroethanamine has a molecular weight of 173.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 83816513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).