(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

C26H23F6NO3 — CID 24775382

IUPAC(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H23F6NO3/c1-16(34)15-33-23(18-6-3-8-20(14-18)36-26(30,31)32)12-11-22-21(9-4-10-24(22)33)17-5-2-7-19(13-17)35-25(27,28)29/h2-10,13-14,16,23,34H,11-12,15H2,1H3/t16-,23-/m1/s1
InChIKeyNIOYNELQFBUKHR-WAIKUNEKSA-N
MW511.46 g/mol
LogP7.03
Rot. Bonds6

About (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol (PubChem CID 24775382) has the molecular formula C26H23F6NO3 and a molecular weight of 511.46 g/mol. Its IUPAC name is (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
PubChem CID24775382
Molecular FormulaC26H23F6NO3
Molecular Weight511.46 g/mol
Exact Mass511.16
IUPAC Name(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H23F6NO3/c1-16(34)15-33-23(18-6-3-8-20(14-18)36-26(30,31)32)12-11-22-21(9-4-10-24(22)33)17-5-2-7-19(13-17)35-25(27,28)29/h2-10,13-14,16,23,34H,11-12,15H2,1H3/t16-,23-/m1/s1
InChIKeyNIOYNELQFBUKHR-WAIKUNEKSA-N
XLogP7.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.46
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol (CID 24775382) is (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol is C[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The InChIKey is NIOYNELQFBUKHR-WAIKUNEKSA-N. The full InChI is InChI=1S/C26H23F6NO3/c1-16(34)15-33-23(18-6-3-8-20(14-18)36-26(30,31)32)12-11-22-21(9-4-10-24(22)33)17-5-2-7-19(13-17)35-25(27,28)29/h2-10,13-14,16,23,34H,11-12,15H2,1H3/t16-,23-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
(2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol has a molecular weight of 511.46 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol is sourced from PubChem (CID 24775382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).