(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol

C28H16F12NOP — CID 100939425

IUPAC(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)c1ccccc1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16F12NOP/c29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43(20-13-17(27(35,36)37)10-18(14-20)28(38,39)40)23-7-2-1-5-21(23)24(42)22-6-3-4-8-41-22/h1-14,24,42H/t24-/m0/s1
InChIKeyFBFYXJWOYASDAS-DEOSSOPVSA-N
MW641.39 g/mol
LogP8.00
Rot. Bonds5

About (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol

(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol (PubChem CID 100939425) has the molecular formula C28H16F12NOP and a molecular weight of 641.39 g/mol. Its IUPAC name is (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
PubChem CID100939425
Molecular FormulaC28H16F12NOP
Molecular Weight641.39 g/mol
Exact Mass641.08
IUPAC Name(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)c1ccccc1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16F12NOP/c29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43(20-13-17(27(35,36)37)10-18(14-20)28(38,39)40)23-7-2-1-5-21(23)24(42)22-6-3-4-8-41-22/h1-14,24,42H/t24-/m0/s1
InChIKeyFBFYXJWOYASDAS-DEOSSOPVSA-N
XLogP8.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.39
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
CID 155099237
pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 572603
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066856
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
(S)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292894
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290

Frequently Asked Questions

What is the IUPAC name of (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol (CID 100939425) is (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol is O[C@H](c1ccccn1)c1ccccc1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol?
The InChIKey is FBFYXJWOYASDAS-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H16F12NOP/c29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43(20-13-17(27(35,36)37)10-18(14-20)28(38,39)40)23-7-2-1-5-21(23)24(42)22-6-3-4-8-41-22/h1-14,24,42H/t24-/m0/s1.
What are the key properties of (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol?
(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol has a molecular weight of 641.39 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 100939425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).