4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

C16H13F4N — CID 107290107

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(C2CCNc3ccccc32)ccc1C(F)(F)F
InChIInChI=1S/C16H13F4N/c17-14-9-10(5-6-13(14)16(18,19)20)11-7-8-21-15-4-2-1-3-12(11)15/h1-6,9,11,21H,7-8H2
InChIKeyQFBAYRCZTPVSSF-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.79
Rot. Bonds1

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 107290107) has the molecular formula C16H13F4N and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID107290107
Molecular FormulaC16H13F4N
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(C2CCNc3ccccc32)ccc1C(F)(F)F
InChIInChI=1S/C16H13F4N/c17-14-9-10(5-6-13(14)16(18,19)20)11-7-8-21-15-4-2-1-3-12(11)15/h1-6,9,11,21H,7-8H2
InChIKeyQFBAYRCZTPVSSF-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (CID 107290107) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is Fc1cc(C2CCNc3ccccc32)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is QFBAYRCZTPVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N/c17-14-9-10(5-6-13(14)16(18,19)20)11-7-8-21-15-4-2-1-3-12(11)15/h1-6,9,11,21H,7-8H2.
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 295.28 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107290107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).