1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium

C16H29FN+ — CID 163166427

IUPAC1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESFC1CCC(C[NH+]2CCCC3CCCCC32)CC1
InChIInChI=1S/C16H28FN/c17-15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h13-16H,1-12H2/p+1
InChIKeyOPLJRFZRWKUIKR-UHFFFAOYSA-O
MW254.41 g/mol
LogP2.75
Rot. Bonds2

About 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium

1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (PubChem CID 163166427) has the molecular formula C16H29FN+ and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
PubChem CID163166427
Molecular FormulaC16H29FN+
Molecular Weight254.41 g/mol
Exact Mass254.23
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESFC1CCC(C[NH+]2CCCC3CCCCC32)CC1
InChIInChI=1S/C16H28FN/c17-15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h13-16H,1-12H2/p+1
InChIKeyOPLJRFZRWKUIKR-UHFFFAOYSA-O
XLogP2.75
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium with MolForge

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Related Compounds

Decahydroquinoline
CID 92911
Quinoline, decahydro-, (4aR,8aS)-rel-
CID 66078
rel-(4aR,8aR)-Decahydroquinoline
CID 66313
2-Methyldecahydroquinoline (mixture of isomers)
CID 524016
Quinoline, decahydro-, cis-
CID 6994355
(4aS,8aR)-Decahydroquinoline
CID 6994352
2-[2-Cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine
CID 117698250
Tetradecahydroacridine
CID 140130
Decahydroquinoline--hydrogen bromide (1/1)
CID 71357222
cis-Decahydro-quinoline hydrochloride
CID 12229428
3-Methyl-decahydroquinoline
CID 15555473
2-Methyl-decahydroquinoline hydrochloride
CID 117069074

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (CID 163166427) is 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is FC1CCC(C[NH+]2CCCC3CCCCC32)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The InChIKey is OPLJRFZRWKUIKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H28FN/c17-15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h13-16H,1-12H2/p+1.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium has a molecular weight of 254.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is sourced from PubChem (CID 163166427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).