7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

C16H13F4N — CID 107290133

IUPAC7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(-c2ccc3c(c2)NCCC3)cc1C(F)(F)F
InChIInChI=1S/C16H13F4N/c17-14-6-5-11(8-13(14)16(18,19)20)12-4-3-10-2-1-7-21-15(10)9-12/h3-6,8-9,21H,1-2,7H2
InChIKeyKPBMKPAMCGLUBE-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.87
Rot. Bonds1

About 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 107290133) has the molecular formula C16H13F4N and a molecular weight of 295.28 g/mol. Its IUPAC name is 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID107290133
Molecular FormulaC16H13F4N
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(-c2ccc3c(c2)NCCC3)cc1C(F)(F)F
InChIInChI=1S/C16H13F4N/c17-14-6-5-11(8-13(14)16(18,19)20)12-4-3-10-2-1-7-21-15(10)9-12/h3-6,8-9,21H,1-2,7H2
InChIKeyKPBMKPAMCGLUBE-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (CID 107290133) is 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is Fc1ccc(-c2ccc3c(c2)NCCC3)cc1C(F)(F)F.
What is the InChIKey of 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KPBMKPAMCGLUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N/c17-14-6-5-11(8-13(14)16(18,19)20)12-4-3-10-2-1-7-21-15(10)9-12/h3-6,8-9,21H,1-2,7H2.
What are the key properties of 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 295.28 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107290133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).