1-chlorobutane;chloroform

C5H10Cl4 — CID 88838918

IUPAC1-chlorobutane;chloroform
SMILESCCCCCl.ClC(Cl)Cl
InChIInChI=1S/C4H9Cl.CHCl3/c1-2-3-4-5;2-1(3)4/h2-4H2,1H3;1H
InChIKeyYKKBHFRKPPQNHD-UHFFFAOYSA-N
MW211.95 g/mol
LogP4.01
Rot. Bonds2

About 1-chlorobutane;chloroform

1-chlorobutane;chloroform (PubChem CID 88838918) has the molecular formula C5H10Cl4 and a molecular weight of 211.95 g/mol. Its IUPAC name is 1-chlorobutane;chloroform.

Molecular Properties

Compound Name1-chlorobutane;chloroform
PubChem CID88838918
Molecular FormulaC5H10Cl4
Molecular Weight211.95 g/mol
Exact Mass209.95
IUPAC Name1-chlorobutane;chloroform
SMILESCCCCCl.ClC(Cl)Cl
InChIInChI=1S/C4H9Cl.CHCl3/c1-2-3-4-5;2-1(3)4/h2-4H2,1H3;1H
InChIKeyYKKBHFRKPPQNHD-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.95
LogP ≤ 54.01
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-chlorobutane
CID 8005
CID 87133310
CID 87133310
magnesium;1-chlorobutane;hydride
CID 172997910
chloroform;pentane
CID 19858055
lithium;alumane;1-chlorobutane;hydride
CID 173447563
1-chloropentane;2-methylpropane
CID 174338226
1,1-dichloroethane;1,2-dichloroethane;hexane
CID 175301802
1-chloropentane;pentadecane
CID 174295582
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871

Frequently Asked Questions

What is the IUPAC name of 1-chlorobutane;chloroform?
The IUPAC name of 1-chlorobutane;chloroform (CID 88838918) is 1-chlorobutane;chloroform.
What is the SMILES notation for 1-chlorobutane;chloroform?
The canonical SMILES for 1-chlorobutane;chloroform is CCCCCl.ClC(Cl)Cl.
What is the InChIKey of 1-chlorobutane;chloroform?
The InChIKey is YKKBHFRKPPQNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.CHCl3/c1-2-3-4-5;2-1(3)4/h2-4H2,1H3;1H.
What are the key properties of 1-chlorobutane;chloroform?
1-chlorobutane;chloroform has a molecular weight of 211.95 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobutane;chloroform is sourced from PubChem (CID 88838918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).