chloroform;pentane

C6H13Cl3 — CID 19858055

IUPACchloroform;pentane
SMILESCCCCC.ClC(Cl)Cl
InChIInChI=1S/C5H12.CHCl3/c1-3-5-4-2;2-1(3)4/h3-5H2,1-2H3;1H
InChIKeyHIRGQGZZYOYRGV-UHFFFAOYSA-N
MW191.53 g/mol
LogP4.18
Rot. Bonds2

About chloroform;pentane

chloroform;pentane (PubChem CID 19858055) has the molecular formula C6H13Cl3 and a molecular weight of 191.53 g/mol. Its IUPAC name is chloroform;pentane.

Molecular Properties

Compound Namechloroform;pentane
PubChem CID19858055
Molecular FormulaC6H13Cl3
Molecular Weight191.53 g/mol
Exact Mass190.01
IUPAC Namechloroform;pentane
SMILESCCCCC.ClC(Cl)Cl
InChIInChI=1S/C5H12.CHCl3/c1-3-5-4-2;2-1(3)4/h3-5H2,1-2H3;1H
InChIKeyHIRGQGZZYOYRGV-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.53
LogP ≤ 54.18
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;chloroform
CID 88838918
chloroethane;pentane
CID 161358526
chloroform;tributylphosphane
CID 87403775
alumane;pentane
CID 173125985
CID 159411255
CID 159411255
pentane;propane
CID 91422342
hexadecakis(pentane);dihydrate
CID 173099119
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
azane;butan-1-ol;chloroform;ethanol;hydrate
CID 173117603

Frequently Asked Questions

What is the IUPAC name of chloroform;pentane?
The IUPAC name of chloroform;pentane (CID 19858055) is chloroform;pentane.
What is the SMILES notation for chloroform;pentane?
The canonical SMILES for chloroform;pentane is CCCCC.ClC(Cl)Cl.
What is the InChIKey of chloroform;pentane?
The InChIKey is HIRGQGZZYOYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.CHCl3/c1-3-5-4-2;2-1(3)4/h3-5H2,1-2H3;1H.
What are the key properties of chloroform;pentane?
chloroform;pentane has a molecular weight of 191.53 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;pentane is sourced from PubChem (CID 19858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).