4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride

C9H16ClF2N — CID 167734219

IUPAC4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride
SMILESCl.FC1(F)CCNC2CCCCC21
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)5-6-12-8-4-2-1-3-7(8)9;/h7-8,12H,1-6H2;1H
InChIKeyJNVUMQUTOGHMNI-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.60
Rot. Bonds

About 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride

4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride (PubChem CID 167734219) has the molecular formula C9H16ClF2N and a molecular weight of 211.68 g/mol. Its IUPAC name is 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride
PubChem CID167734219
Molecular FormulaC9H16ClF2N
Molecular Weight211.68 g/mol
Exact Mass211.09
IUPAC Name4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride
SMILESCl.FC1(F)CCNC2CCCCC21
InChIInChI=1S/C9H15F2N.ClH/c10-9(11)5-6-12-8-4-2-1-3-7(8)9;/h7-8,12H,1-6H2;1H
InChIKeyJNVUMQUTOGHMNI-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride?
The IUPAC name of 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride (CID 167734219) is 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride?
The canonical SMILES for 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride is Cl.FC1(F)CCNC2CCCCC21.
What is the InChIKey of 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride?
The InChIKey is JNVUMQUTOGHMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.ClH/c10-9(11)5-6-12-8-4-2-1-3-7(8)9;/h7-8,12H,1-6H2;1H.
What are the key properties of 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride?
4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride has a molecular weight of 211.68 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride is sourced from PubChem (CID 167734219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).