ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C16H26F3N — CID 143643900

IUPACethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC.CC.CCN1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N.2C2H6/c1-2-16-7-3-4-9-5-6-10(8-11(9)16)12(13,14)15;2*1-2/h5-6,8H,2-4,7H2,1H3;2*1-2H3
InChIKeyKIKBQAQICAFAEI-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.53
Rot. Bonds1

About ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline

ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 143643900) has the molecular formula C16H26F3N and a molecular weight of 289.39 g/mol. Its IUPAC name is ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID143643900
Molecular FormulaC16H26F3N
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Nameethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC.CC.CCN1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N.2C2H6/c1-2-16-7-3-4-9-5-6-10(8-11(9)16)12(13,14)15;2*1-2/h5-6,8H,2-4,7H2,1H3;2*1-2H3
InChIKeyKIKBQAQICAFAEI-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
1-ethyl-2,3,4,6-tetrahydrocyclopropa[g]quinoline
CID 164919435
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
CID 118231275
1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 6926181
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
1-ethyl-2,3-dihydroindol-6-ol
CID 23082698

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 143643900) is ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline is CC.CC.CCN1CCCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is KIKBQAQICAFAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.2C2H6/c1-2-16-7-3-4-9-5-6-10(8-11(9)16)12(13,14)15;2*1-2/h5-6,8H,2-4,7H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 289.39 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 143643900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).