1,1,1,2-tetrabromopropane

C3H4Br4 — CID 13454488

IUPAC1,1,1,2-tetrabromopropane
SMILESCC(Br)C(Br)(Br)Br
InChIInChI=1S/C3H4Br4/c1-2(4)3(5,6)7/h2H,1H3
InChIKeyDNDPPWHDBXKSGJ-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.61
Rot. Bonds

About 1,1,1,2-tetrabromopropane

1,1,1,2-tetrabromopropane (PubChem CID 13454488) has the molecular formula C3H4Br4 and a molecular weight of 359.68 g/mol. Its IUPAC name is 1,1,1,2-tetrabromopropane.

Molecular Properties

Compound Name1,1,1,2-tetrabromopropane
PubChem CID13454488
Molecular FormulaC3H4Br4
Molecular Weight359.68 g/mol
Exact Mass355.70
IUPAC Name1,1,1,2-tetrabromopropane
SMILESCC(Br)C(Br)(Br)Br
InChIInChI=1S/C3H4Br4/c1-2(4)3(5,6)7/h2H,1H3
InChIKeyDNDPPWHDBXKSGJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dibromopropane
CID 6553
1,2,3-Tribromopropane
CID 7279
1,2,3,4-Tetrabromobutane
CID 15221
Dibromopropane
CID 152925
1,2,2-Tribromobutane
CID 77246
1,2,2-Tribromopropane
CID 84466
1,1,2-Tribromopropane
CID 85756
1,2,2,3-Tetrabromopropane
CID 41044
1,1,1,3-Tetrabromopropane
CID 638095
1,1,2,3-Tetrabromopropane
CID 13454490
1,2,3-Tribromobutane
CID 102454
1,1,2-Tribromobutane
CID 107143

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrabromopropane?
The IUPAC name of 1,1,1,2-tetrabromopropane (CID 13454488) is 1,1,1,2-tetrabromopropane.
What is the SMILES notation for 1,1,1,2-tetrabromopropane?
The canonical SMILES for 1,1,1,2-tetrabromopropane is CC(Br)C(Br)(Br)Br.
What is the InChIKey of 1,1,1,2-tetrabromopropane?
The InChIKey is DNDPPWHDBXKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br4/c1-2(4)3(5,6)7/h2H,1H3.
What are the key properties of 1,1,1,2-tetrabromopropane?
1,1,1,2-tetrabromopropane has a molecular weight of 359.68 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrabromopropane is sourced from PubChem (CID 13454488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).