6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol

C18H19BrF2O — CID 135398253

IUPAC6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol
SMILESOC(CCCCCBr)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H19BrF2O/c19-11-3-1-2-10-18(22,14-6-4-8-16(20)12-14)15-7-5-9-17(21)13-15/h4-9,12-13,22H,1-3,10-11H2
InChIKeyQRUODXLIVZIYRO-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.16
Rot. Bonds7

About 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol

6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol (PubChem CID 135398253) has the molecular formula C18H19BrF2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol
PubChem CID135398253
Molecular FormulaC18H19BrF2O
Molecular Weight369.25 g/mol
Exact Mass368.06
IUPAC Name6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol
SMILESOC(CCCCCBr)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H19BrF2O/c19-11-3-1-2-10-18(22,14-6-4-8-16(20)12-14)15-7-5-9-17(21)13-15/h4-9,12-13,22H,1-3,10-11H2
InChIKeyQRUODXLIVZIYRO-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71663464
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CID 79449979
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-[1-chloro-2-(chloromethyl)octan-2-yl]-3-fluorobenzene
CID 79453317
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
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CID 59612023
CID 59612023

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol?
The IUPAC name of 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol (CID 135398253) is 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol.
What is the SMILES notation for 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol?
The canonical SMILES for 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol is OC(CCCCCBr)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol?
The InChIKey is QRUODXLIVZIYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2O/c19-11-3-1-2-10-18(22,14-6-4-8-16(20)12-14)15-7-5-9-17(21)13-15/h4-9,12-13,22H,1-3,10-11H2.
What are the key properties of 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol?
6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol has a molecular weight of 369.25 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1-bis(3-fluorophenyl)hexan-1-ol is sourced from PubChem (CID 135398253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).