3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol

C16H9F4NO — CID 175944346

IUPAC3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol
SMILES[2H]c1c(C(F)(F)F)ccc(-c2cnc3cc(O)ccc3c2)c1F
InChIInChI=1S/C16H9F4NO/c17-14-6-11(16(18,19)20)2-4-13(14)10-5-9-1-3-12(22)7-15(9)21-8-10/h1-8,22H/i6D
InChIKeyXECGLOSHKUNVIV-RAMDWTOOSA-N
MW308.25 g/mol
LogP4.77
Rot. Bonds1

About 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol

3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol (PubChem CID 175944346) has the molecular formula C16H9F4NO and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol.

Molecular Properties

Compound Name3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol
PubChem CID175944346
Molecular FormulaC16H9F4NO
Molecular Weight308.25 g/mol
Exact Mass308.07
IUPAC Name3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol
SMILES[2H]c1c(C(F)(F)F)ccc(-c2cnc3cc(O)ccc3c2)c1F
InChIInChI=1S/C16H9F4NO/c17-14-6-11(16(18,19)20)2-4-13(14)10-5-9-1-3-12(22)7-15(9)21-8-10/h1-8,22H/i6D
InChIKeyXECGLOSHKUNVIV-RAMDWTOOSA-N
XLogP4.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)quinolin-7-ol
CID 174242071
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
CID 169293501
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990

Frequently Asked Questions

What is the IUPAC name of 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol?
The IUPAC name of 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol (CID 175944346) is 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol.
What is the SMILES notation for 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol?
The canonical SMILES for 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol is [2H]c1c(C(F)(F)F)ccc(-c2cnc3cc(O)ccc3c2)c1F.
What is the InChIKey of 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol?
The InChIKey is XECGLOSHKUNVIV-RAMDWTOOSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-14-6-11(16(18,19)20)2-4-13(14)10-5-9-1-3-12(22)7-15(9)21-8-10/h1-8,22H/i6D.
What are the key properties of 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol?
3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol has a molecular weight of 308.25 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-deuterio-2-fluoro-4-(trifluoromethyl)phenyl]quinolin-7-ol is sourced from PubChem (CID 175944346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).