(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline

C14H13FN2 — CID 171063111

IUPAC(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
SMILESFc1ccc([C@H]2CNc3ccccc3N2)cc1
InChIInChI=1S/C14H13FN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m1/s1
InChIKeyLAJCDBLVSPUSQR-CQSZACIVSA-N
MW228.27 g/mol
LogP3.40
Rot. Bonds1

About (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline

(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 171063111) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID171063111
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
SMILESFc1ccc([C@H]2CNc3ccccc3N2)cc1
InChIInChI=1S/C14H13FN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m1/s1
InChIKeyLAJCDBLVSPUSQR-CQSZACIVSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-2,4-bis(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 102430675
6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 82156513
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 2771647
2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
CID 71271669
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
5-chloro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 113459426
2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 84670481
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline (CID 171063111) is (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline is Fc1ccc([C@H]2CNc3ccccc3N2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is LAJCDBLVSPUSQR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13FN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline?
(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 228.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 171063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).