1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol

C10H11BrF4O — CID 132595919

IUPAC1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)C(F)(F)Br)CCCCC1
InChIInChI=1S/C10H11BrF4O/c11-10(14,15)9(12,13)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2
InChIKeyVNOOEDAELHELNX-UHFFFAOYSA-N
MW303.09 g/mol
LogP3.31
Rot. Bonds1

About 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol

1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol (PubChem CID 132595919) has the molecular formula C10H11BrF4O and a molecular weight of 303.09 g/mol. Its IUPAC name is 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol
PubChem CID132595919
Molecular FormulaC10H11BrF4O
Molecular Weight303.09 g/mol
Exact Mass301.99
IUPAC Name1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)C(F)(F)Br)CCCCC1
InChIInChI=1S/C10H11BrF4O/c11-10(14,15)9(12,13)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2
InChIKeyVNOOEDAELHELNX-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.09
LogP ≤ 53.31
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Bromoethynyl)cyclohexanol
CID 203124
1-Ethynyl-4,4-difluorocyclohexan-1-ol
CID 125480698
1-(3,3,3-Trifluoroprop-1-ynyl)cyclohexan-1-ol
CID 3631002
1-(3,3,4,4,4-Pentafluoro-1-butynyl)cyclohexanol
CID 13406431
1-[Bromo(difluoro)methyl]cyclohexan-1-ol
CID 107139955
1-[Bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 107140191
1-(Bromodifluoromethyl)-4,4-difluorocyclohexan-1-ol
CID 164651145
1-(2-Bromoethyl)-4,4-difluorocyclohexan-1-ol
CID 165450780
1-(Bromomethyl)-4,4-difluorocyclohexan-1-ol
CID 165675023

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol (CID 132595919) is 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol is OC1(C#CC(F)(F)C(F)(F)Br)CCCCC1.
What is the InChIKey of 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol?
The InChIKey is VNOOEDAELHELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF4O/c11-10(14,15)9(12,13)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2.
What are the key properties of 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol?
1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol has a molecular weight of 303.09 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,3,4,4-tetrafluorobut-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 132595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).