2-chloro-3-trichlorogermylpropanenitrile

C3H3Cl4GeN — CID 87674408

IUPAC2-chloro-3-trichlorogermylpropanenitrile
SMILESN#CC(Cl)C[Ge](Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl4GeN/c4-3(2-9)1-8(5,6)7/h3H,1H2
InChIKeyGRHHJTUBORPYBR-UHFFFAOYSA-N
MW267.49 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-3-trichlorogermylpropanenitrile

2-chloro-3-trichlorogermylpropanenitrile (PubChem CID 87674408) has the molecular formula C3H3Cl4GeN and a molecular weight of 267.49 g/mol. Its IUPAC name is 2-chloro-3-trichlorogermylpropanenitrile.

Molecular Properties

Compound Name2-chloro-3-trichlorogermylpropanenitrile
PubChem CID87674408
Molecular FormulaC3H3Cl4GeN
Molecular Weight267.49 g/mol
Exact Mass266.82
IUPAC Name2-chloro-3-trichlorogermylpropanenitrile
SMILESN#CC(Cl)C[Ge](Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl4GeN/c4-3(2-9)1-8(5,6)7/h3H,1H2
InChIKeyGRHHJTUBORPYBR-UHFFFAOYSA-N
XLogP2.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-hydroxypropanenitrile
CID 11083844
2-chloro-4,4,4-trifluorobutanenitrile
CID 102600003
2-chloro-4-cyclohexylbutanenitrile
CID 131092032
2-chloro-3-isocyanatopropanenitrile
CID 12568233
(2S)-2-chloro-3-[4-[4-[(2R)-2-chloro-2-cyanoethyl]phenyl]phenyl]propanenitrile
CID 9093377
2-chloro-2-sulfanylacetonitrile
CID 142657547
chloro-dicyano-ethylphosphanium
CID 87318845
2-chloro-3-(dibutylamino)propanenitrile
CID 112704081
3,3,5-trichloro-5-cyanopentanoic acid
CID 20517974
(2S)-2-chloro-3-(2-chlorophenyl)propanenitrile
CID 959169
3,3-dichloropropanenitrile
CID 18537751
2-chloro-3-(3,4-dimethylphenyl)propanenitrile
CID 82054377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-trichlorogermylpropanenitrile?
The IUPAC name of 2-chloro-3-trichlorogermylpropanenitrile (CID 87674408) is 2-chloro-3-trichlorogermylpropanenitrile.
What is the SMILES notation for 2-chloro-3-trichlorogermylpropanenitrile?
The canonical SMILES for 2-chloro-3-trichlorogermylpropanenitrile is N#CC(Cl)C[Ge](Cl)(Cl)Cl.
What is the InChIKey of 2-chloro-3-trichlorogermylpropanenitrile?
The InChIKey is GRHHJTUBORPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl4GeN/c4-3(2-9)1-8(5,6)7/h3H,1H2.
What are the key properties of 2-chloro-3-trichlorogermylpropanenitrile?
2-chloro-3-trichlorogermylpropanenitrile has a molecular weight of 267.49 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-trichlorogermylpropanenitrile is sourced from PubChem (CID 87674408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).