6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline

C16H22FN — CID 54342567

IUPAC6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(F)=C(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C16H22FN/c1-11(2)18-9-5-6-15-10-14(7-8-16(15)18)12(3)13(4)17/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyTZZXQNGRZZBGKA-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.57
Rot. Bonds2

About 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline

6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 54342567) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID54342567
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(F)=C(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C16H22FN/c1-11(2)18-9-5-6-15-10-14(7-8-16(15)18)12(3)13(4)17/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyTZZXQNGRZZBGKA-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

Dimetacrine
CID 94280
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
AS-601811
CID 10220187
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
Julolidine
CID 68069
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
3,4-Dihydro-6-methyl-1(2H)-quinolinecarboxaldehyde
CID 98729
1-Ethyl-1,2,3,4-tetrahydroquinoline
CID 117428
1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride
CID 24748026
5,6-dimethyl-6H-phenanthridine
CID 242966
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161
1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopropyl)methyl)piperazine
CID 9901646

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 54342567) is 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(F)=C(C)c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is TZZXQNGRZZBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11(2)18-9-5-6-15-10-14(7-8-16(15)18)12(3)13(4)17/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 247.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorobut-2-en-2-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 54342567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).