azane;butan-1-ol;chloroform;ethanol;hydrate

C7H22Cl3NO3 — CID 173117603

IUPACazane;butan-1-ol;chloroform;ethanol;hydrate
SMILESCCCCO.CCO.ClC(Cl)Cl.N.O
InChIInChI=1S/C4H10O.C2H6O.CHCl3.H3N.H2O/c1-2-3-4-5;1-2-3;2-1(3)4;;/h5H,2-4H2,1H3;3H,2H2,1H3;1H;1H3;1H2
InChIKeyPRPVNTDOMHFFDK-UHFFFAOYSA-N
MW274.62 g/mol
LogP2.10
Rot. Bonds2

About azane;butan-1-ol;chloroform;ethanol;hydrate

azane;butan-1-ol;chloroform;ethanol;hydrate (PubChem CID 173117603) has the molecular formula C7H22Cl3NO3 and a molecular weight of 274.62 g/mol. Its IUPAC name is azane;butan-1-ol;chloroform;ethanol;hydrate.

Molecular Properties

Compound Nameazane;butan-1-ol;chloroform;ethanol;hydrate
PubChem CID173117603
Molecular FormulaC7H22Cl3NO3
Molecular Weight274.62 g/mol
Exact Mass273.07
IUPAC Nameazane;butan-1-ol;chloroform;ethanol;hydrate
SMILESCCCCO.CCO.ClC(Cl)Cl.N.O
InChIInChI=1S/C4H10O.C2H6O.CHCl3.H3N.H2O/c1-2-3-4-5;1-2-3;2-1(3)4;;/h5H,2-4H2,1H3;3H,2H2,1H3;1H;1H3;1H2
InChIKeyPRPVNTDOMHFFDK-UHFFFAOYSA-N
XLogP2.10
TPSA106.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.62
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;ethanol;zirconium
CID 87234004
azane;butan-1-ol;propan-1-ol
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butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;ethanol;titanium;zirconium
CID 173180305
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
tetrakis(butan-1-ol);cerium
CID 87109841
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762

Frequently Asked Questions

What is the IUPAC name of azane;butan-1-ol;chloroform;ethanol;hydrate?
The IUPAC name of azane;butan-1-ol;chloroform;ethanol;hydrate (CID 173117603) is azane;butan-1-ol;chloroform;ethanol;hydrate.
What is the SMILES notation for azane;butan-1-ol;chloroform;ethanol;hydrate?
The canonical SMILES for azane;butan-1-ol;chloroform;ethanol;hydrate is CCCCO.CCO.ClC(Cl)Cl.N.O.
What is the InChIKey of azane;butan-1-ol;chloroform;ethanol;hydrate?
The InChIKey is PRPVNTDOMHFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O.CHCl3.H3N.H2O/c1-2-3-4-5;1-2-3;2-1(3)4;;/h5H,2-4H2,1H3;3H,2H2,1H3;1H;1H3;1H2.
What are the key properties of azane;butan-1-ol;chloroform;ethanol;hydrate?
azane;butan-1-ol;chloroform;ethanol;hydrate has a molecular weight of 274.62 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butan-1-ol;chloroform;ethanol;hydrate is sourced from PubChem (CID 173117603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).