2,3,3-trichloroprop-2-en-1-amine;hydrochloride

C3H5Cl4N — CID 91643356

IUPAC2,3,3-trichloroprop-2-en-1-amine;hydrochloride
SMILESCl.NCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H4Cl3N.ClH/c4-2(1-7)3(5)6;/h1,7H2;1H
InChIKeyMRRKVKCQJVCBOM-UHFFFAOYSA-N
MW196.89 g/mol
LogP2.25
Rot. Bonds1

About 2,3,3-trichloroprop-2-en-1-amine;hydrochloride

2,3,3-trichloroprop-2-en-1-amine;hydrochloride (PubChem CID 91643356) has the molecular formula C3H5Cl4N and a molecular weight of 196.89 g/mol. Its IUPAC name is 2,3,3-trichloroprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2,3,3-trichloroprop-2-en-1-amine;hydrochloride
PubChem CID91643356
Molecular FormulaC3H5Cl4N
Molecular Weight196.89 g/mol
Exact Mass194.92
IUPAC Name2,3,3-trichloroprop-2-en-1-amine;hydrochloride
SMILESCl.NCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H4Cl3N.ClH/c4-2(1-7)3(5)6;/h1,7H2;1H
InChIKeyMRRKVKCQJVCBOM-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.89
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trichloroprop-2-en-1-amine
CID 23452709
(E)-2-chlorobut-2-ene-1,3-diamine
CID 146384599
2-aminoacetyl chloride;hydrochloride
CID 15561435
2-aminoethanethioyl chloride
CID 123300294
1,1,2,3-tetrachloroprop-1-ene
CID 25281
1,1,2-trichloro-3-fluoroprop-1-ene
CID 53375582
N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine
CID 90856144
aminomethanol;dihydrate
CID 173179339
2-chlorobut-2-en-1-amine
CID 123970893
tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene
CID 174914861
2-aminoacetic acid;cadmium
CID 87269769
2-(15N)azanylacetamide;hydrochloride
CID 131708744

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloroprop-2-en-1-amine;hydrochloride?
The IUPAC name of 2,3,3-trichloroprop-2-en-1-amine;hydrochloride (CID 91643356) is 2,3,3-trichloroprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 2,3,3-trichloroprop-2-en-1-amine;hydrochloride?
The canonical SMILES for 2,3,3-trichloroprop-2-en-1-amine;hydrochloride is Cl.NCC(Cl)=C(Cl)Cl.
What is the InChIKey of 2,3,3-trichloroprop-2-en-1-amine;hydrochloride?
The InChIKey is MRRKVKCQJVCBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3N.ClH/c4-2(1-7)3(5)6;/h1,7H2;1H.
What are the key properties of 2,3,3-trichloroprop-2-en-1-amine;hydrochloride?
2,3,3-trichloroprop-2-en-1-amine;hydrochloride has a molecular weight of 196.89 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloroprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 91643356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).