1,2-dichloropropane;1-iodo-2-methylpropane

C7H15Cl2I — CID 88842909

IUPAC1,2-dichloropropane;1-iodo-2-methylpropane
SMILESCC(C)CI.CC(Cl)CCl
InChIInChI=1S/C4H9I.C3H6Cl2/c1-4(2)3-5;1-3(5)2-4/h4H,3H2,1-2H3;3H,2H2,1H3
InChIKeyUTHFHSUSYFTXRQ-UHFFFAOYSA-N
MW297.01 g/mol
LogP3.93
Rot. Bonds2

About 1,2-dichloropropane;1-iodo-2-methylpropane

1,2-dichloropropane;1-iodo-2-methylpropane (PubChem CID 88842909) has the molecular formula C7H15Cl2I and a molecular weight of 297.01 g/mol. Its IUPAC name is 1,2-dichloropropane;1-iodo-2-methylpropane.

Molecular Properties

Compound Name1,2-dichloropropane;1-iodo-2-methylpropane
PubChem CID88842909
Molecular FormulaC7H15Cl2I
Molecular Weight297.01 g/mol
Exact Mass295.96
IUPAC Name1,2-dichloropropane;1-iodo-2-methylpropane
SMILESCC(C)CI.CC(Cl)CCl
InChIInChI=1S/C4H9I.C3H6Cl2/c1-4(2)3-5;1-3(5)2-4/h4H,3H2,1-2H3;3H,2H2,1H3
InChIKeyUTHFHSUSYFTXRQ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.01
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloropropane;titanium
CID 88762967
1-iodo-2-methylpropane;hydrofluoride
CID 174557152
1-chloro-2-methylpropane;methanol
CID 88619830
1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
CID 18186137
1-chloro-2-methylpropane;N-methylmethanamine
CID 175109198
1,1,3-trichloro-2-methylpropane
CID 23268512
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
CID 6931072
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1,4-diiodo-2,3-dimethylbutane
CID 21200721
1-chloro-2,3,5-trimethylhexane
CID 130519679
(2S)-1-iodopropan-2-amine
CID 89094739

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloropropane;1-iodo-2-methylpropane?
The IUPAC name of 1,2-dichloropropane;1-iodo-2-methylpropane (CID 88842909) is 1,2-dichloropropane;1-iodo-2-methylpropane.
What is the SMILES notation for 1,2-dichloropropane;1-iodo-2-methylpropane?
The canonical SMILES for 1,2-dichloropropane;1-iodo-2-methylpropane is CC(C)CI.CC(Cl)CCl.
What is the InChIKey of 1,2-dichloropropane;1-iodo-2-methylpropane?
The InChIKey is UTHFHSUSYFTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I.C3H6Cl2/c1-4(2)3-5;1-3(5)2-4/h4H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of 1,2-dichloropropane;1-iodo-2-methylpropane?
1,2-dichloropropane;1-iodo-2-methylpropane has a molecular weight of 297.01 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropropane;1-iodo-2-methylpropane is sourced from PubChem (CID 88842909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).