bromoform;butan-1-ol

C5H11Br3O — CID 87548610

IUPACbromoform;butan-1-ol
SMILESBrC(Br)Br.CCCCO
InChIInChI=1S/C4H10O.CHBr3/c1-2-3-4-5;2-1(3)4/h5H,2-4H2,1H3;1H
InChIKeyDODXRXSNZVVZSJ-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.23
Rot. Bonds2

About bromoform;butan-1-ol

bromoform;butan-1-ol (PubChem CID 87548610) has the molecular formula C5H11Br3O and a molecular weight of 326.85 g/mol. Its IUPAC name is bromoform;butan-1-ol.

Molecular Properties

Compound Namebromoform;butan-1-ol
PubChem CID87548610
Molecular FormulaC5H11Br3O
Molecular Weight326.85 g/mol
Exact Mass323.84
IUPAC Namebromoform;butan-1-ol
SMILESBrC(Br)Br.CCCCO
InChIInChI=1S/C4H10O.CHBr3/c1-2-3-4-5;2-1(3)4/h5H,2-4H2,1H3;1H
InChIKeyDODXRXSNZVVZSJ-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.23
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

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tetrakis(butan-1-ol);propane;titanium
CID 174520119

Frequently Asked Questions

What is the IUPAC name of bromoform;butan-1-ol?
The IUPAC name of bromoform;butan-1-ol (CID 87548610) is bromoform;butan-1-ol.
What is the SMILES notation for bromoform;butan-1-ol?
The canonical SMILES for bromoform;butan-1-ol is BrC(Br)Br.CCCCO.
What is the InChIKey of bromoform;butan-1-ol?
The InChIKey is DODXRXSNZVVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CHBr3/c1-2-3-4-5;2-1(3)4/h5H,2-4H2,1H3;1H.
What are the key properties of bromoform;butan-1-ol?
bromoform;butan-1-ol has a molecular weight of 326.85 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoform;butan-1-ol is sourced from PubChem (CID 87548610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).