3-bromo-2,2,4,4,4-pentafluorobutan-1-ol

C4H4BrF5O — CID 10466935

IUPAC3-bromo-2,2,4,4,4-pentafluorobutan-1-ol
SMILESOCC(F)(F)C(Br)C(F)(F)F
InChIInChI=1S/C4H4BrF5O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKeyHNJUIIPGBHOYTO-UHFFFAOYSA-N
MW242.97 g/mol
LogP1.94
Rot. Bonds2

About 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol

3-bromo-2,2,4,4,4-pentafluorobutan-1-ol (PubChem CID 10466935) has the molecular formula C4H4BrF5O and a molecular weight of 242.97 g/mol. Its IUPAC name is 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol.

Molecular Properties

Compound Name3-bromo-2,2,4,4,4-pentafluorobutan-1-ol
PubChem CID10466935
Molecular FormulaC4H4BrF5O
Molecular Weight242.97 g/mol
Exact Mass241.94
IUPAC Name3-bromo-2,2,4,4,4-pentafluorobutan-1-ol
SMILESOCC(F)(F)C(Br)C(F)(F)F
InChIInChI=1S/C4H4BrF5O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKeyHNJUIIPGBHOYTO-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.97
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-3,3,3-trifluoropropan-1-ol
CID 534005
4-Bromo-4,4-difluorobutan-1-ol
CID 2736272
2,4-Dibromo-4,4-difluorobutan-1-ol
CID 85636182
3-Bromo-2,2-difluoropropan-1-ol
CID 112756501
3-Bromo-4-fluorobutan-1-ol
CID 15906128
5-Bromo-4,4,5,5-tetrafluoropentan-1-ol
CID 2736379
2-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
CID 13198227
4-Bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 2736369
3-Bromo-2,2,3-trifluoropropan-1-ol
CID 23234994
(2R)-2-bromo-3,3,3-trifluoropropan-1-ol
CID 26986080
2-Bromo-4,4,5,5,5-pentafluoropentan-1-ol
CID 46928251
3-Bromo-4,4,4-trifluoro-butan-1-ol
CID 56989405

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol?
The IUPAC name of 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol (CID 10466935) is 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol.
What is the SMILES notation for 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol?
The canonical SMILES for 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol is OCC(F)(F)C(Br)C(F)(F)F.
What is the InChIKey of 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol?
The InChIKey is HNJUIIPGBHOYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF5O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2.
What are the key properties of 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol?
3-bromo-2,2,4,4,4-pentafluorobutan-1-ol has a molecular weight of 242.97 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2,4,4,4-pentafluorobutan-1-ol is sourced from PubChem (CID 10466935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).