(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H10F3N — CID 96619807

IUPAC(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)[C@H]1CCNc2ccccc21
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8,14H,5-6H2/t8-/m0/s1
InChIKeyRMSJJHZOMXZVMU-QMMMGPOBSA-N
MW201.19 g/mol
LogP3.15
Rot. Bonds

About (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 96619807) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID96619807
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)[C@H]1CCNc2ccccc21
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8,14H,5-6H2/t8-/m0/s1
InChIKeyRMSJJHZOMXZVMU-QMMMGPOBSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 96619807) is (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)[C@H]1CCNc2ccccc21.
What is the InChIKey of (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RMSJJHZOMXZVMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8,14H,5-6H2/t8-/m0/s1.
What are the key properties of (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 201.19 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 96619807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).