5-bromo-4,4,5,5-tetrafluoropentan-1-ol

C5H7BrF4O — CID 2736379

IUPAC5-bromo-4,4,5,5-tetrafluoropentan-1-ol
SMILESOCCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C5H7BrF4O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
InChIKeySFZAVKMARQFPHC-UHFFFAOYSA-N
MW239.01 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-4,4,5,5-tetrafluoropentan-1-ol

5-bromo-4,4,5,5-tetrafluoropentan-1-ol (PubChem CID 2736379) has the molecular formula C5H7BrF4O and a molecular weight of 239.01 g/mol. Its IUPAC name is 5-bromo-4,4,5,5-tetrafluoropentan-1-ol.

Molecular Properties

Compound Name5-bromo-4,4,5,5-tetrafluoropentan-1-ol
PubChem CID2736379
Molecular FormulaC5H7BrF4O
Molecular Weight239.01 g/mol
Exact Mass237.96
IUPAC Name5-bromo-4,4,5,5-tetrafluoropentan-1-ol
SMILESOCCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C5H7BrF4O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
InChIKeySFZAVKMARQFPHC-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
4-Bromo-4,4-difluorobutan-1-ol
CID 2736272
1,1,2,2,3,3-Hexadeuterio-4,4,5,5,5-pentafluoropentan-1-ol
CID 71308977
3,3,5,5,5-Pentafluoropentan-1-ol
CID 155511765
2-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
CID 13198227
6-Bromo-5,5,6,6-tetrafluorohexan-1-ol
CID 23236922
4-Bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 2736369
CF3CHBrCF2CH2OH
CID 10466935
5-Bromo-5,5-difluoropentan-1-ol
CID 10845809
1,2,2,3,3,4,4,5-Octafluoropentan-1-ol
CID 13782989

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,4,5,5-tetrafluoropentan-1-ol?
The IUPAC name of 5-bromo-4,4,5,5-tetrafluoropentan-1-ol (CID 2736379) is 5-bromo-4,4,5,5-tetrafluoropentan-1-ol.
What is the SMILES notation for 5-bromo-4,4,5,5-tetrafluoropentan-1-ol?
The canonical SMILES for 5-bromo-4,4,5,5-tetrafluoropentan-1-ol is OCCCC(F)(F)C(F)(F)Br.
What is the InChIKey of 5-bromo-4,4,5,5-tetrafluoropentan-1-ol?
The InChIKey is SFZAVKMARQFPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF4O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2.
What are the key properties of 5-bromo-4,4,5,5-tetrafluoropentan-1-ol?
5-bromo-4,4,5,5-tetrafluoropentan-1-ol has a molecular weight of 239.01 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,4,5,5-tetrafluoropentan-1-ol is sourced from PubChem (CID 2736379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).