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

C14H18F3N — CID 117193878

IUPAC2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2cc(C(F)(F)F)ccc2CC1C
InChIInChI=1S/C14H18F3N/c1-4-13(3)9(2)7-10-5-6-11(14(15,16)17)8-12(10)18-13/h5-6,8-9,18H,4,7H2,1-3H3
InChIKeyVYWQBVCZLAMWHX-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.48
Rot. Bonds1

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

2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline (PubChem CID 117193878) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
PubChem CID117193878
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2cc(C(F)(F)F)ccc2CC1C
InChIInChI=1S/C14H18F3N/c1-4-13(3)9(2)7-10-5-6-11(14(15,16)17)8-12(10)18-13/h5-6,8-9,18H,4,7H2,1-3H3
InChIKeyVYWQBVCZLAMWHX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 67764160
9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene
CID 142535810
3-cyclopropyl-3-methyl-7-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
CID 115502336
2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193423
(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid
CID 150306735
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
2,2-dimethyl-7-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502340
(NE)-N-[(2R)-2-propyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]hydroxylamine
CID 136621148
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline?
The IUPAC name of 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline (CID 117193878) is 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline is CCC1(C)Nc2cc(C(F)(F)F)ccc2CC1C.
What is the InChIKey of 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline?
The InChIKey is VYWQBVCZLAMWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-4-13(3)9(2)7-10-5-6-11(14(15,16)17)8-12(10)18-13/h5-6,8-9,18H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline?
2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline has a molecular weight of 257.30 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).