8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

C9H10FNO — CID 67152386

IUPAC8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2C=CC=C(F)C2N1
InChIInChI=1S/C9H10FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-3,6,9H,4-5H2,(H,11,12)
InChIKeySMKRTTQGMZGDLC-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.30
Rot. Bonds

About 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (PubChem CID 67152386) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
PubChem CID67152386
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2C=CC=C(F)C2N1
InChIInChI=1S/C9H10FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-3,6,9H,4-5H2,(H,11,12)
InChIKeySMKRTTQGMZGDLC-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo(2.2.2)oct-5-en-3-one
CID 55285700
3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 19976059
3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 20223084
2,4,4a,8a-tetrahydro-1H-isoquinolin-3-one
CID 53756417
Tetrahydro-3(2h)-isoquinolinone
CID 66922432
Hexahydroisoquinolin-3(2h)-one
CID 90806750
6-bromo-8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911302
7-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911309
6-bromo-7-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911312
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 70870290
4-amino-N-[3,5-difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohex-2-ene-1-carboxamide
CID 70892513
4-amino-N-(3,5-difluoro-4-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974405

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (CID 67152386) is 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is O=C1CCC2C=CC=C(F)C2N1.
What is the InChIKey of 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The InChIKey is SMKRTTQGMZGDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-3,6,9H,4-5H2,(H,11,12).
What are the key properties of 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 67152386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).