[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol

C13H14BrF3O — CID 115840545

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
SMILESOC(c1ccc(Br)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C13H14BrF3O/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12,18H,1-4H2
InChIKeyDZUAGHRLZPMMAT-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.69
Rot. Bonds2

About [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol

[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol (PubChem CID 115840545) has the molecular formula C13H14BrF3O and a molecular weight of 323.15 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
PubChem CID115840545
Molecular FormulaC13H14BrF3O
Molecular Weight323.15 g/mol
Exact Mass322.02
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
SMILESOC(c1ccc(Br)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C13H14BrF3O/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12,18H,1-4H2
InChIKeyDZUAGHRLZPMMAT-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol (CID 115840545) is [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol is OC(c1ccc(Br)c(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The InChIKey is DZUAGHRLZPMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3O/c14-11-6-5-9(7-10(11)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12,18H,1-4H2.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol?
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol has a molecular weight of 323.15 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol is sourced from PubChem (CID 115840545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).