(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol

C15H12Br2F2O2 — CID 12982381

IUPAC(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol
SMILESO[C@H](c1ccc(Br)cc1)C(F)(F)[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2F2O2/c16-11-5-1-9(2-6-11)13(20)15(18,19)14(21)10-3-7-12(17)8-4-10/h1-8,13-14,20-21H/t13-,14-/m1/s1
InChIKeyXUWPUDPKJOJJLT-ZIAGYGMSSA-N
MW422.06 g/mol
LogP4.61
Rot. Bonds4

About (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol

(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol (PubChem CID 12982381) has the molecular formula C15H12Br2F2O2 and a molecular weight of 422.06 g/mol. Its IUPAC name is (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol
PubChem CID12982381
Molecular FormulaC15H12Br2F2O2
Molecular Weight422.06 g/mol
Exact Mass419.92
IUPAC Name(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol
SMILESO[C@H](c1ccc(Br)cc1)C(F)(F)[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2F2O2/c16-11-5-1-9(2-6-11)13(20)15(18,19)14(21)10-3-7-12(17)8-4-10/h1-8,13-14,20-21H/t13-,14-/m1/s1
InChIKeyXUWPUDPKJOJJLT-ZIAGYGMSSA-N
XLogP4.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.06
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Bromophenyl)(phenyl)methanol
CID 285827
1-(4-Bromophenyl)ethanol
CID 95352
p-Bromobenzhydryl alcohol
CID 98221
(4-Bromophenyl)(cyclopropyl)methanol
CID 123566
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
4-Bromo-alpha-propylbenzenemethanol
CID 90739
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
2-Bromo-alpha-phenylbenzenemethanol
CID 11425518
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
(Perfluorobutyl)-4-bromophenylmethanol
CID 46217842
1,3-Butanediol, 1-(p-bromophenyl)-2-methyl-3-trifluoromethyl-4,4,4-trifluoro-
CID 36964

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol?
The IUPAC name of (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol (CID 12982381) is (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol.
What is the SMILES notation for (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol?
The canonical SMILES for (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol is O[C@H](c1ccc(Br)cc1)C(F)(F)[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol?
The InChIKey is XUWPUDPKJOJJLT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H12Br2F2O2/c16-11-5-1-9(2-6-11)13(20)15(18,19)14(21)10-3-7-12(17)8-4-10/h1-8,13-14,20-21H/t13-,14-/m1/s1.
What are the key properties of (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol?
(1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol has a molecular weight of 422.06 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1,3-bis(4-bromophenyl)-2,2-difluoropropane-1,3-diol is sourced from PubChem (CID 12982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).