ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline

C23H23F4NOS — CID 143710731

IUPACethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC.FC(F)C(F)(F)Oc1cccc(C2CCc3c(cccc3-c3cccs3)N2)c1
InChIInChI=1S/C21H17F4NOS.C2H6/c22-20(23)21(24,25)27-14-5-1-4-13(12-14)17-10-9-15-16(19-8-3-11-28-19)6-2-7-18(15)26-17;1-2/h1-8,11-12,17,20,26H,9-10H2;1-2H3
InChIKeyUJZWVWCXDZIKON-UHFFFAOYSA-N
MW437.50 g/mol
LogP7.78
Rot. Bonds5

About ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline

ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 143710731) has the molecular formula C23H23F4NOS and a molecular weight of 437.50 g/mol. Its IUPAC name is ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID143710731
Molecular FormulaC23H23F4NOS
Molecular Weight437.50 g/mol
Exact Mass437.14
IUPAC Nameethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC.FC(F)C(F)(F)Oc1cccc(C2CCc3c(cccc3-c3cccs3)N2)c1
InChIInChI=1S/C21H17F4NOS.C2H6/c22-20(23)21(24,25)27-14-5-1-4-13(12-14)17-10-9-15-16(19-8-3-11-28-19)6-2-7-18(15)26-17;1-2/h1-8,11-12,17,20,26H,9-10H2;1-2H3
InChIKeyUJZWVWCXDZIKON-UHFFFAOYSA-N
XLogP7.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 59009816
5-bromo-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 59009817
(2S)-5-bromo-1-methyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 59009890
(2S)-5-bromo-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;[3-(trifluoromethoxy)phenyl]boronic acid;2-(trifluoromethyl)oxirane;(2S)-1,1,1-trifluoro-3-[(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 159981204
(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
CID 171192722
(2S)-5-bromo-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 59009841
(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 143710700
(2S)-1-[(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24775477
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1,1,1-trifluoro-3-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774923

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline (CID 143710731) is ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline is CC.FC(F)C(F)(F)Oc1cccc(C2CCc3c(cccc3-c3cccs3)N2)c1.
What is the InChIKey of ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UJZWVWCXDZIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4NOS.C2H6/c22-20(23)21(24,25)27-14-5-1-4-13(12-14)17-10-9-15-16(19-8-3-11-28-19)6-2-7-18(15)26-17;1-2/h1-8,11-12,17,20,26H,9-10H2;1-2H3.
What are the key properties of ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 437.50 g/mol, XLogP of 7.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 143710731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).