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

C3H4Cl3N — CID 23452709

IUPAC2,3,3-trichloroprop-2-en-1-amine
SMILESNCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H4Cl3N/c4-2(1-7)3(5)6/h1,7H2
InChIKeyHFYXFTFJWIJPNH-UHFFFAOYSA-N
MW160.43 g/mol
LogP1.83
Rot. Bonds1

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

2,3,3-trichloroprop-2-en-1-amine (PubChem CID 23452709) has the molecular formula C3H4Cl3N and a molecular weight of 160.43 g/mol. Its IUPAC name is 2,3,3-trichloroprop-2-en-1-amine.

Molecular Properties

Compound Name2,3,3-trichloroprop-2-en-1-amine
PubChem CID23452709
Molecular FormulaC3H4Cl3N
Molecular Weight160.43 g/mol
Exact Mass158.94
IUPAC Name2,3,3-trichloroprop-2-en-1-amine
SMILESNCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H4Cl3N/c4-2(1-7)3(5)6/h1,7H2
InChIKeyHFYXFTFJWIJPNH-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trichloroprop-2-en-1-amine;hydrochloride
CID 91643356
(E)-2-chlorobut-2-ene-1,3-diamine
CID 146384599
2-aminoethanethioyl chloride
CID 123300294
1,1,2,3-tetrachloroprop-1-ene
CID 25281
2-aminoacetyl chloride;hydrochloride
CID 15561435
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
3-amino-2-chloroprop-1-en-1-one
CID 151948921

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloroprop-2-en-1-amine?
The IUPAC name of 2,3,3-trichloroprop-2-en-1-amine (CID 23452709) is 2,3,3-trichloroprop-2-en-1-amine.
What is the SMILES notation for 2,3,3-trichloroprop-2-en-1-amine?
The canonical SMILES for 2,3,3-trichloroprop-2-en-1-amine is NCC(Cl)=C(Cl)Cl.
What is the InChIKey of 2,3,3-trichloroprop-2-en-1-amine?
The InChIKey is HFYXFTFJWIJPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3N/c4-2(1-7)3(5)6/h1,7H2.
What are the key properties of 2,3,3-trichloroprop-2-en-1-amine?
2,3,3-trichloroprop-2-en-1-amine has a molecular weight of 160.43 g/mol, XLogP of 1.83, 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 is sourced from PubChem (CID 23452709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).