5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine

C23H21ClF3NO — CID 162604635

IUPAC5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine
SMILESCC(F)(Oc1cccc([C@@](C)(Cc2ccccc2)c2ccc(Cl)cn2)c1)C(F)F
InChIInChI=1S/C23H21ClF3NO/c1-22(14-16-7-4-3-5-8-16,20-12-11-18(24)15-28-20)17-9-6-10-19(13-17)29-23(2,27)21(25)26/h3-13,15,21H,14H2,1-2H3/t22-,23?/m1/s1
InChIKeySYTRJQYEGGROIZ-WTQRLHSKSA-N
MW419.87 g/mol
LogP6.61
Rot. Bonds7

About 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine

5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine (PubChem CID 162604635) has the molecular formula C23H21ClF3NO and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine
PubChem CID162604635
Molecular FormulaC23H21ClF3NO
Molecular Weight419.87 g/mol
Exact Mass419.13
IUPAC Name5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine
SMILESCC(F)(Oc1cccc([C@@](C)(Cc2ccccc2)c2ccc(Cl)cn2)c1)C(F)F
InChIInChI=1S/C23H21ClF3NO/c1-22(14-16-7-4-3-5-8-16,20-12-11-18(24)15-28-20)17-9-6-10-19(13-17)29-23(2,27)21(25)26/h3-13,15,21H,14H2,1-2H3/t22-,23?/m1/s1
InChIKeySYTRJQYEGGROIZ-WTQRLHSKSA-N
XLogP6.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine
CID 89347606
N-[2-[[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamoylamino]phenyl]acetamide
CID 16739927
phenyl N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58921412
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 58921375
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 58920563
2,2-dimethylpropyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58920489
naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate
CID 58921168
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 58920086
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]azepane-1-carboxamide
CID 58920207
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821
2-fluoroethyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58921701
propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58920050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine?
The IUPAC name of 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine (CID 162604635) is 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine?
The canonical SMILES for 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine is CC(F)(Oc1cccc([C@@](C)(Cc2ccccc2)c2ccc(Cl)cn2)c1)C(F)F.
What is the InChIKey of 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine?
The InChIKey is SYTRJQYEGGROIZ-WTQRLHSKSA-N. The full InChI is InChI=1S/C23H21ClF3NO/c1-22(14-16-7-4-3-5-8-16,20-12-11-18(24)15-28-20)17-9-6-10-19(13-17)29-23(2,27)21(25)26/h3-13,15,21H,14H2,1-2H3/t22-,23?/m1/s1.
What are the key properties of 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine?
5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine has a molecular weight of 419.87 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine is sourced from PubChem (CID 162604635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).