2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium

C9H8BrF3O2Os — CID 160846358

IUPAC2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium
SMILESOCC(O)(c1ccc(Br)cc1)C(F)(F)F.[Os]
InChIInChI=1S/C9H8BrF3O2.Os/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,14-15H,5H2;
InChIKeySIRQQAUZPDSYTQ-UHFFFAOYSA-N
MW475.29 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium

2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium (PubChem CID 160846358) has the molecular formula C9H8BrF3O2Os and a molecular weight of 475.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium.

Molecular Properties

Compound Name2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium
PubChem CID160846358
Molecular FormulaC9H8BrF3O2Os
Molecular Weight475.29 g/mol
Exact Mass475.93
IUPAC Name2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium
SMILESOCC(O)(c1ccc(Br)cc1)C(F)(F)F.[Os]
InChIInChI=1S/C9H8BrF3O2.Os/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,14-15H,5H2;
InChIKeySIRQQAUZPDSYTQ-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol
CID 66582585
2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 121006575
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-iodoethanol
CID 68607834
2-amino-2-(4-bromophenyl)propane-1,3-diol
CID 130045533
2-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 170770730
1,1-bis[4-(4-bromophenoxy)phenyl]-2,2,2-trifluoroethanol
CID 10438461
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
3,3,3-trifluoro-2-(furan-2-yl)propane-1,2-diol
CID 73069117

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium?
The IUPAC name of 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium (CID 160846358) is 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium.
What is the SMILES notation for 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium?
The canonical SMILES for 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium is OCC(O)(c1ccc(Br)cc1)C(F)(F)F.[Os].
What is the InChIKey of 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium?
The InChIKey is SIRQQAUZPDSYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O2.Os/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,14-15H,5H2;.
What are the key properties of 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium?
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium has a molecular weight of 475.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium is sourced from PubChem (CID 160846358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).