(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol

C12H14BrFO — CID 96691275

IUPAC(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
SMILESO[C@@H](c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H14BrFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8,12,15H,1-4H2/t12-/m1/s1
InChIKeyNYSNCFKDCAKEJX-GFCCVEGCSA-N
MW273.14 g/mol
LogP3.81
Rot. Bonds2

About (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol

(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol (PubChem CID 96691275) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol.

Molecular Properties

Compound Name(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
PubChem CID96691275
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
SMILESO[C@@H](c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H14BrFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8,12,15H,1-4H2/t12-/m1/s1
InChIKeyNYSNCFKDCAKEJX-GFCCVEGCSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol
CID 169239690
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol?
The IUPAC name of (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol (CID 96691275) is (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol.
What is the SMILES notation for (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol?
The canonical SMILES for (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol is O[C@@H](c1ccc(Br)cc1F)C1CCCC1.
What is the InChIKey of (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol?
The InChIKey is NYSNCFKDCAKEJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8,12,15H,1-4H2/t12-/m1/s1.
What are the key properties of (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol?
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol has a molecular weight of 273.14 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol is sourced from PubChem (CID 96691275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).