butane;1,3-dichlorobenzene

C10H14Cl2 — CID 174455068

IUPACbutane;1,3-dichlorobenzene
SMILESCCCC.Clc1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2.C4H10/c7-5-2-1-3-6(8)4-5;1-3-4-2/h1-4H;3-4H2,1-2H3
InChIKeyDLYQIRRLGBKITI-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.80
Rot. Bonds1

About butane;1,3-dichlorobenzene

butane;1,3-dichlorobenzene (PubChem CID 174455068) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is butane;1,3-dichlorobenzene.

Molecular Properties

Compound Namebutane;1,3-dichlorobenzene
PubChem CID174455068
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Namebutane;1,3-dichlorobenzene
SMILESCCCC.Clc1cccc(Cl)c1
InChIInChI=1S/C6H4Cl2.C4H10/c7-5-2-1-3-6(8)4-5;1-3-4-2/h1-4H;3-4H2,1-2H3
InChIKeyDLYQIRRLGBKITI-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
sodium;1,3-dichlorobenzene;hydride
CID 175271520
1,3-dichlorobenzene;sulfanol
CID 174381890
1,3-dichlorobenzene;guanidine
CID 174959611
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
1-chloro-3-octylbenzene
CID 11458768
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457

Frequently Asked Questions

What is the IUPAC name of butane;1,3-dichlorobenzene?
The IUPAC name of butane;1,3-dichlorobenzene (CID 174455068) is butane;1,3-dichlorobenzene.
What is the SMILES notation for butane;1,3-dichlorobenzene?
The canonical SMILES for butane;1,3-dichlorobenzene is CCCC.Clc1cccc(Cl)c1.
What is the InChIKey of butane;1,3-dichlorobenzene?
The InChIKey is DLYQIRRLGBKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C4H10/c7-5-2-1-3-6(8)4-5;1-3-4-2/h1-4H;3-4H2,1-2H3.
What are the key properties of butane;1,3-dichlorobenzene?
butane;1,3-dichlorobenzene has a molecular weight of 205.13 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,3-dichlorobenzene is sourced from PubChem (CID 174455068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).