(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one

C9H10FNO — CID 134545185

IUPAC(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
SMILESO=C1C=CC=C2NCCC[C@]12F
InChIInChI=1S/C9H10FNO/c10-9-5-2-6-11-7(9)3-1-4-8(9)12/h1,3-4,11H,2,5-6H2/t9-/m1/s1
InChIKeyOMMQUJPOUHMXQZ-SECBINFHSA-N
MW167.18 g/mol
LogP1.10
Rot. Bonds

About (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one

(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one (PubChem CID 134545185) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
PubChem CID134545185
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
SMILESO=C1C=CC=C2NCCC[C@]12F
InChIInChI=1S/C9H10FNO/c10-9-5-2-6-11-7(9)3-1-4-8(9)12/h1,3-4,11H,2,5-6H2/t9-/m1/s1
InChIKeyOMMQUJPOUHMXQZ-SECBINFHSA-N
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
Tetrahydro-4-quinolone
CID 66867494
5-Oxohexahydroquinoline
CID 67278758
7-Fluoro-1,2,4b,9-tetrahydroindeno[2,1-b]pyridin-5-one
CID 19874640
1-Ethyl-6,7-difluoro-1,2,3,4-tetrahydro-5-oxoquinoline
CID 131720168
Hexahydro-8-isoquinolone
CID 129785867
3-Methyltetrahydro-4-quinolone
CID 129795595
2,4,4a,5-tetrahydro-1H-quinolin-3-one
CID 68793250
2,3,4,8a-tetrahydro-1H-isoquinolin-8-one
CID 70038736
2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride
CID 141373544
4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one
CID 163510497
2,3,4a,5-Tetrahydrobenzo[h]quinolin-4(1H)-one
CID 71370522

Frequently Asked Questions

What is the IUPAC name of (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one?
The IUPAC name of (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one (CID 134545185) is (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one.
What is the SMILES notation for (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one?
The canonical SMILES for (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one is O=C1C=CC=C2NCCC[C@]12F.
What is the InChIKey of (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one?
The InChIKey is OMMQUJPOUHMXQZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-5-2-6-11-7(9)3-1-4-8(9)12/h1,3-4,11H,2,5-6H2/t9-/m1/s1.
What are the key properties of (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one?
(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one has a molecular weight of 167.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one is sourced from PubChem (CID 134545185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).