propan-1-ol;1,1,2-trichloroethene

C5H9Cl3O — CID 87654277

IUPACpropan-1-ol;1,1,2-trichloroethene
SMILESCCCO.ClC=C(Cl)Cl
InChIInChI=1S/C3H8O.C2HCl3/c1-2-3-4;3-1-2(4)5/h4H,2-3H2,1H3;1H
InChIKeyZYIMDNRRULSYDY-UHFFFAOYSA-N
MW191.48 g/mol
LogP2.89
Rot. Bonds1

About propan-1-ol;1,1,2-trichloroethene

propan-1-ol;1,1,2-trichloroethene (PubChem CID 87654277) has the molecular formula C5H9Cl3O and a molecular weight of 191.48 g/mol. Its IUPAC name is propan-1-ol;1,1,2-trichloroethene.

Molecular Properties

Compound Namepropan-1-ol;1,1,2-trichloroethene
PubChem CID87654277
Molecular FormulaC5H9Cl3O
Molecular Weight191.48 g/mol
Exact Mass189.97
IUPAC Namepropan-1-ol;1,1,2-trichloroethene
SMILESCCCO.ClC=C(Cl)Cl
InChIInChI=1S/C3H8O.C2HCl3/c1-2-3-4;3-1-2(4)5/h4H,2-3H2,1H3;1H
InChIKeyZYIMDNRRULSYDY-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2-trichloroethene
CID 23616282
1,1,2-trichloroethene;1,1,1-trichloropropane
CID 19861673
potassium;propan-1-ol;hydroxide;hydrate
CID 175572045
niobium;hexakis(propan-1-ol)
CID 142301963
propan-1-ol;sulfanide
CID 19710776
propan-1-ol;hydroiodide
CID 126649388
1,1,2-trichloroethene;dihydrobromide
CID 88822870
iron;1,1,2-trichloroethene
CID 87567250
CID 6391766
CID 6391766
phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
nickel;propan-1-ol
CID 22476953

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;1,1,2-trichloroethene?
The IUPAC name of propan-1-ol;1,1,2-trichloroethene (CID 87654277) is propan-1-ol;1,1,2-trichloroethene.
What is the SMILES notation for propan-1-ol;1,1,2-trichloroethene?
The canonical SMILES for propan-1-ol;1,1,2-trichloroethene is CCCO.ClC=C(Cl)Cl.
What is the InChIKey of propan-1-ol;1,1,2-trichloroethene?
The InChIKey is ZYIMDNRRULSYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2HCl3/c1-2-3-4;3-1-2(4)5/h4H,2-3H2,1H3;1H.
What are the key properties of propan-1-ol;1,1,2-trichloroethene?
propan-1-ol;1,1,2-trichloroethene has a molecular weight of 191.48 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;1,1,2-trichloroethene is sourced from PubChem (CID 87654277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).