4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

C10H16FN — CID 174265409

IUPAC4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFCC1CCNC2=CCCCC21
InChIInChI=1S/C10H16FN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h4,8-9,12H,1-3,5-7H2
InChIKeyYUSUQTZNPIJHBC-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.25
Rot. Bonds1

About 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (PubChem CID 174265409) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.

Molecular Properties

Compound Name4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
PubChem CID174265409
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFCC1CCNC2=CCCCC21
InChIInChI=1S/C10H16FN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h4,8-9,12H,1-3,5-7H2
InChIKeyYUSUQTZNPIJHBC-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7-Octahydroquinoline
CID 17933009
Octahydrobenzoquinoline
CID 67195051
Octahydrobenzo[g]quinoline
CID 69368048
trans-Octahydrobenzo[g]quinoline
CID 129712244
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-(Trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
CID 118589336
6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
CID 123554630
2-(Trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
CID 139617015
4-(3,4-Difluorocyclohex-2-en-1-yl)piperidine
CID 144930001
4-(4-Fluoro-5-methylcyclohex-2-en-1-yl)piperidine
CID 163500154
2-(4-Fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine
CID 163927240

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The IUPAC name of 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (CID 174265409) is 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.
What is the SMILES notation for 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The canonical SMILES for 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is FCC1CCNC2=CCCCC21.
What is the InChIKey of 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The InChIKey is YUSUQTZNPIJHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h4,8-9,12H,1-3,5-7H2.
What are the key properties of 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline has a molecular weight of 169.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is sourced from PubChem (CID 174265409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).