1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol

C11H11BrF4O — CID 115828339

IUPAC1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cccc(F)c1Br
InChIInChI=1S/C11H11BrF4O/c12-10-7(3-1-4-8(10)13)9(17)5-2-6-11(14,15)16/h1,3-4,9,17H,2,5-6H2
InChIKeyDDAAJBHKAYQQLH-UHFFFAOYSA-N
MW315.10 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol

1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115828339) has the molecular formula C11H11BrF4O and a molecular weight of 315.10 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID115828339
Molecular FormulaC11H11BrF4O
Molecular Weight315.10 g/mol
Exact Mass313.99
IUPAC Name1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cccc(F)c1Br
InChIInChI=1S/C11H11BrF4O/c12-10-7(3-1-4-8(10)13)9(17)5-2-6-11(14,15)16/h1,3-4,9,17H,2,5-6H2
InChIKeyDDAAJBHKAYQQLH-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
1-(2-bromo-3-fluorophenyl)pent-4-yn-1-ol
CID 115799381
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024003
1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
1-(2-bromo-3-fluorophenyl)hex-4-yn-1-ol
CID 115833631
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 107103457
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol (CID 115828339) is 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol is OC(CCCC(F)(F)F)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is DDAAJBHKAYQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4O/c12-10-7(3-1-4-8(10)13)9(17)5-2-6-11(14,15)16/h1,3-4,9,17H,2,5-6H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol?
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 315.10 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115828339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).