2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline

C19H18F3N — CID 134200107

IUPAC2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1/C=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18F3N/c1-14-11-12-16-9-5-6-10-18(16)23(14)13-17(19(20,21)22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3/b17-13-
InChIKeyUSFVOXYVFLPETK-LGMDPLHJSA-N
MW317.35 g/mol
LogP5.43
Rot. Bonds2

About 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline

2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline (PubChem CID 134200107) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline
PubChem CID134200107
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1/C=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18F3N/c1-14-11-12-16-9-5-6-10-18(16)23(14)13-17(19(20,21)22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3/b17-13-
InChIKeyUSFVOXYVFLPETK-LGMDPLHJSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline (CID 134200107) is 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1/C=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline?
The InChIKey is USFVOXYVFLPETK-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18F3N/c1-14-11-12-16-9-5-6-10-18(16)23(14)13-17(19(20,21)22)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3/b17-13-.
What are the key properties of 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline?
2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline has a molecular weight of 317.35 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-3,3,3-trifluoro-2-phenylprop-1-enyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 134200107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).