chloroform;ethanol;tetrachloromethane;hydrate

C4H9Cl7O2 — CID 174619658

IUPACchloroform;ethanol;tetrachloromethane;hydrate
SMILESCCO.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.O
InChIInChI=1S/C2H6O.CCl4.CHCl3.H2O/c1-2-3;2-1(3,4)5;2-1(3)4;/h3H,2H2,1H3;;1H;1H2
InChIKeyCYENHRDUXZYMPS-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.71
Rot. Bonds

About chloroform;ethanol;tetrachloromethane;hydrate

chloroform;ethanol;tetrachloromethane;hydrate (PubChem CID 174619658) has the molecular formula C4H9Cl7O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is chloroform;ethanol;tetrachloromethane;hydrate.

Molecular Properties

Compound Namechloroform;ethanol;tetrachloromethane;hydrate
PubChem CID174619658
Molecular FormulaC4H9Cl7O2
Molecular Weight337.29 g/mol
Exact Mass333.84
IUPAC Namechloroform;ethanol;tetrachloromethane;hydrate
SMILESCCO.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.O
InChIInChI=1S/C2H6O.CCl4.CHCl3.H2O/c1-2-3;2-1(3,4)5;2-1(3)4;/h3H,2H2,1H3;;1H;1H2
InChIKeyCYENHRDUXZYMPS-UHFFFAOYSA-N
XLogP3.71
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloroform;ethanol;methanol;hydrate
CID 18003253
ethanol;tetrachloromethane
CID 23446399
chloroform;ethanol
CID 173257897
chloroform;ethanol;methanol;propan-2-ol
CID 172777273
ethanol;heptahydrate
CID 57434370
azane;butan-1-ol;chloroform;ethanol;hydrate
CID 173117603
chloroform;ethanol;ethoxyethane
CID 87752781
ethanol;phosphane;hydrate
CID 175112469
chloroform;methanol;octahydrate
CID 173365306
ethanol;1,1,1-trichloro-2-methylpropan-2-ol
CID 88520604
1-chloropropane-1,1-diol;2-chloropropane-1,3-diol
CID 161482060
ethanol;iron;tetrahydrate;hydrochloride
CID 175371303

Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;tetrachloromethane;hydrate?
The IUPAC name of chloroform;ethanol;tetrachloromethane;hydrate (CID 174619658) is chloroform;ethanol;tetrachloromethane;hydrate.
What is the SMILES notation for chloroform;ethanol;tetrachloromethane;hydrate?
The canonical SMILES for chloroform;ethanol;tetrachloromethane;hydrate is CCO.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.O.
What is the InChIKey of chloroform;ethanol;tetrachloromethane;hydrate?
The InChIKey is CYENHRDUXZYMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CCl4.CHCl3.H2O/c1-2-3;2-1(3,4)5;2-1(3)4;/h3H,2H2,1H3;;1H;1H2.
What are the key properties of chloroform;ethanol;tetrachloromethane;hydrate?
chloroform;ethanol;tetrachloromethane;hydrate has a molecular weight of 337.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;tetrachloromethane;hydrate is sourced from PubChem (CID 174619658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).