(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline

C24H19F6NO — CID 11948238

IUPAC(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline
SMILESFC(F)(F)c1cc(CO[C@H]2CCc3ncccc3[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F6NO/c25-23(26,27)17-11-15(12-18(13-17)24(28,29)30)14-32-21-9-8-20-19(7-4-10-31-20)22(21)16-5-2-1-3-6-16/h1-7,10-13,21-22H,8-9,14H2/t21-,22-/m0/s1
InChIKeyOFGRZWBHWIPJLW-VXKWHMMOSA-N
MW451.41 g/mol
LogP6.78
Rot. Bonds4

About (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline

(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 11948238) has the molecular formula C24H19F6NO and a molecular weight of 451.41 g/mol. Its IUPAC name is (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID11948238
Molecular FormulaC24H19F6NO
Molecular Weight451.41 g/mol
Exact Mass451.14
IUPAC Name(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline
SMILESFC(F)(F)c1cc(CO[C@H]2CCc3ncccc3[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F6NO/c25-23(26,27)17-11-15(12-18(13-17)24(28,29)30)14-32-21-9-8-20-19(7-4-10-31-20)22(21)16-5-2-1-3-6-16/h1-7,10-13,21-22H,8-9,14H2/t21-,22-/m0/s1
InChIKeyOFGRZWBHWIPJLW-VXKWHMMOSA-N
XLogP6.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline (CID 11948238) is (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline is FC(F)(F)c1cc(CO[C@H]2CCc3ncccc3[C@@H]2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is OFGRZWBHWIPJLW-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H19F6NO/c25-23(26,27)17-11-15(12-18(13-17)24(28,29)30)14-32-21-9-8-20-19(7-4-10-31-20)22(21)16-5-2-1-3-6-16/h1-7,10-13,21-22H,8-9,14H2/t21-,22-/m0/s1.
What are the key properties of (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline?
(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 451.41 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 11948238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).