(1S)-1-anthracen-9-yl-2-fluoroethanamine

C16H14FN — CID 171197554

IUPAC(1S)-1-anthracen-9-yl-2-fluoroethanamine
SMILESN[C@H](CF)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14FN/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15H,10,18H2/t15-/m1/s1
InChIKeyYBAXRGCWBDEMSS-OAHLLOKOSA-N
MW239.29 g/mol
LogP3.96
Rot. Bonds2

About (1S)-1-anthracen-9-yl-2-fluoroethanamine

(1S)-1-anthracen-9-yl-2-fluoroethanamine (PubChem CID 171197554) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S)-1-anthracen-9-yl-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-anthracen-9-yl-2-fluoroethanamine
PubChem CID171197554
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name(1S)-1-anthracen-9-yl-2-fluoroethanamine
SMILESN[C@H](CF)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14FN/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15H,10,18H2/t15-/m1/s1
InChIKeyYBAXRGCWBDEMSS-OAHLLOKOSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-anthracen-9-yl-2-fluoroethanamine?
The IUPAC name of (1S)-1-anthracen-9-yl-2-fluoroethanamine (CID 171197554) is (1S)-1-anthracen-9-yl-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-anthracen-9-yl-2-fluoroethanamine?
The canonical SMILES for (1S)-1-anthracen-9-yl-2-fluoroethanamine is N[C@H](CF)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (1S)-1-anthracen-9-yl-2-fluoroethanamine?
The InChIKey is YBAXRGCWBDEMSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FN/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9,15H,10,18H2/t15-/m1/s1.
What are the key properties of (1S)-1-anthracen-9-yl-2-fluoroethanamine?
(1S)-1-anthracen-9-yl-2-fluoroethanamine has a molecular weight of 239.29 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-anthracen-9-yl-2-fluoroethanamine is sourced from PubChem (CID 171197554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).