(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol

C14H11BrF2O — CID 15942068

IUPAC(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol
SMILESO[C@H](c1ccc(-c2ccc(Br)cc2)cc1)C(F)F
InChIInChI=1S/C14H11BrF2O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)14(16)17/h1-8,13-14,18H/t13-/m1/s1
InChIKeyLPNHUIALEZHGGH-CYBMUJFWSA-N
MW313.14 g/mol
LogP4.41
Rot. Bonds3

About (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol

(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol (PubChem CID 15942068) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol
PubChem CID15942068
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol
SMILESO[C@H](c1ccc(-c2ccc(Br)cc2)cc1)C(F)F
InChIInChI=1S/C14H11BrF2O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)14(16)17/h1-8,13-14,18H/t13-/m1/s1
InChIKeyLPNHUIALEZHGGH-CYBMUJFWSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-[4-(4-methylphenyl)phenyl]ethanol
CID 159994137
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
1-bromo-4-[4-(difluoromethyl)phenyl]benzene
CID 85090252
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1-(4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820927
CID 156792861
CID 156792861
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
(3R,4S)-4-(4-bromophenyl)-4-hydroxy-3-methylbutan-2-one
CID 129404262
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol?
The IUPAC name of (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol (CID 15942068) is (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol.
What is the SMILES notation for (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol?
The canonical SMILES for (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol is O[C@H](c1ccc(-c2ccc(Br)cc2)cc1)C(F)F.
What is the InChIKey of (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol?
The InChIKey is LPNHUIALEZHGGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)14(16)17/h1-8,13-14,18H/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol?
(1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol has a molecular weight of 313.14 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol is sourced from PubChem (CID 15942068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).