3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol

C11H5BrF10O — CID 102356395

IUPAC3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESOC(c1ccccc1Br)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5BrF10O/c12-6-4-2-1-3-5(6)7(23,8(13,14)10(17,18)19)9(15,16)11(20,21)22/h1-4,23H
InChIKeyXIDVVUARBVQZTB-UHFFFAOYSA-N
MW423.04 g/mol
LogP5.03
Rot. Bonds3

About 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol

3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (PubChem CID 102356395) has the molecular formula C11H5BrF10O and a molecular weight of 423.04 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
PubChem CID102356395
Molecular FormulaC11H5BrF10O
Molecular Weight423.04 g/mol
Exact Mass421.94
IUPAC Name3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESOC(c1ccccc1Br)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5BrF10O/c12-6-4-2-1-3-5(6)7(23,8(13,14)10(17,18)19)9(15,16)11(20,21)22/h1-4,23H
InChIKeyXIDVVUARBVQZTB-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.04
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
1-(2-Bromophenyl)ethanol
CID 95455
2-(2-Bromophenyl)propan-2-ol
CID 329527
2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23527396
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
(R)-1-(2-bromophenyl)ethanol
CID 2734868
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
2-(4-Bromophenyl)propan-2-ol
CID 12681920
4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
CID 91987
(Perfluorobutyl)-4-bromophenylmethanol
CID 46217842

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The IUPAC name of 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (CID 102356395) is 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.
What is the SMILES notation for 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The canonical SMILES for 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is OC(c1ccccc1Br)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The InChIKey is XIDVVUARBVQZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF10O/c12-6-4-2-1-3-5(6)7(23,8(13,14)10(17,18)19)9(15,16)11(20,21)22/h1-4,23H.
What are the key properties of 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol has a molecular weight of 423.04 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is sourced from PubChem (CID 102356395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).