6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride

C13H17F2N — CID 143910994

IUPAC6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride
SMILESCCC1C=c2ccc(C(C)F)nc2=CC1.F
InChIInChI=1S/C13H16FN.FH/c1-3-10-4-6-13-11(8-10)5-7-12(15-13)9(2)14;/h5-10H,3-4H2,1-2H3;1H
InChIKeyNGTXNIMRSZXQAW-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.26
Rot. Bonds2

About 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride

6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride (PubChem CID 143910994) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride.

Molecular Properties

Compound Name6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride
PubChem CID143910994
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride
SMILESCCC1C=c2ccc(C(C)F)nc2=CC1.F
InChIInChI=1S/C13H16FN.FH/c1-3-10-4-6-13-11(8-10)5-7-12(15-13)9(2)14;/h5-10H,3-4H2,1-2H3;1H
InChIKeyNGTXNIMRSZXQAW-UHFFFAOYSA-N
XLogP2.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride?
The IUPAC name of 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride (CID 143910994) is 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride.
What is the SMILES notation for 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride?
The canonical SMILES for 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride is CCC1C=c2ccc(C(C)F)nc2=CC1.F.
What is the InChIKey of 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride?
The InChIKey is NGTXNIMRSZXQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN.FH/c1-3-10-4-6-13-11(8-10)5-7-12(15-13)9(2)14;/h5-10H,3-4H2,1-2H3;1H.
What are the key properties of 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride?
6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride has a molecular weight of 225.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline;hydrofluoride is sourced from PubChem (CID 143910994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).