1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol

C19H15F6NO2 — CID 143710744

IUPAC1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol
SMILESOC(CN1c2ccccc2C=CC1c1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C19H15F6NO2/c20-18(21,22)17(27)11-26-15-7-2-1-4-12(15)8-9-16(26)13-5-3-6-14(10-13)28-19(23,24)25/h1-10,16-17,27H,11H2
InChIKeyKPBIXNQLIDXAHC-UHFFFAOYSA-N
MW403.32 g/mol
LogP5.08
Rot. Bonds4

About 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol (PubChem CID 143710744) has the molecular formula C19H15F6NO2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol
PubChem CID143710744
Molecular FormulaC19H15F6NO2
Molecular Weight403.32 g/mol
Exact Mass403.10
IUPAC Name1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol
SMILESOC(CN1c2ccccc2C=CC1c1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C19H15F6NO2/c20-18(21,22)17(27)11-26-15-7-2-1-4-12(15)8-9-16(26)13-5-3-6-14(10-13)28-19(23,24)25/h1-10,16-17,27H,11H2
InChIKeyKPBIXNQLIDXAHC-UHFFFAOYSA-N
XLogP5.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774923
(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 71532271
1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 154983267
(2S)-1,1,1-trifluoro-3-[(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 24767861
1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzothiazin-4-yl]propan-2-ol
CID 24767889
sulfane;(2S)-1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 159457832
(2R)-3-[2-[3,5-bis(trifluoromethyl)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 154488408
1,1,1-trifluoro-3-[5-[3-(trifluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774927
3-[2-(2,5-dimethylpyrazol-3-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 78101111
2-chloro-1-phenylethanone;bis(1,1,1-trifluoro-3-[3-phenyl-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol)
CID 159017478
(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 127049872
(2S)-1,1,1-trifluoro-3-[(3S)-3-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 89319584

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol (CID 143710744) is 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol is OC(CN1c2ccccc2C=CC1c1cccc(OC(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol?
The InChIKey is KPBIXNQLIDXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6NO2/c20-18(21,22)17(27)11-26-15-7-2-1-4-12(15)8-9-16(26)13-5-3-6-14(10-13)28-19(23,24)25/h1-10,16-17,27H,11H2.
What are the key properties of 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol has a molecular weight of 403.32 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol is sourced from PubChem (CID 143710744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).