3,3-dichloro-1,2,3-trifluoroprop-1-ene

C3HCl2F3 — CID 154475695

IUPAC3,3-dichloro-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)(Cl)Cl
InChIInChI=1S/C3HCl2F3/c4-3(5,8)2(7)1-6/h1H
InChIKeyJPQBQZFPXPHWIY-UHFFFAOYSA-N
MW164.94 g/mol
LogP2.87
Rot. Bonds1

About 3,3-dichloro-1,2,3-trifluoroprop-1-ene

3,3-dichloro-1,2,3-trifluoroprop-1-ene (PubChem CID 154475695) has the molecular formula C3HCl2F3 and a molecular weight of 164.94 g/mol. Its IUPAC name is 3,3-dichloro-1,2,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name3,3-dichloro-1,2,3-trifluoroprop-1-ene
PubChem CID154475695
Molecular FormulaC3HCl2F3
Molecular Weight164.94 g/mol
Exact Mass163.94
IUPAC Name3,3-dichloro-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)(Cl)Cl
InChIInChI=1S/C3HCl2F3/c4-3(5,8)2(7)1-6/h1H
InChIKeyJPQBQZFPXPHWIY-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.94
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 90459485
1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
(Z)-1,2,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 158693197
2,2,3,4-tetrafluorobut-3-enoic acid
CID 23268867
(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene
CID 12584524
2-chloro-1,1-difluoroethene;tetrachloromethane
CID 175077525
1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene
CID 54309719
1,1-dichloro-1,3-difluorobut-2-ene
CID 54481104
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
(E)-1,2-difluoroprop-1-ene;trifluoro(methoxy)methane
CID 165078646
1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate
CID 59386467
(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene
CID 11010150

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1,2,3-trifluoroprop-1-ene?
The IUPAC name of 3,3-dichloro-1,2,3-trifluoroprop-1-ene (CID 154475695) is 3,3-dichloro-1,2,3-trifluoroprop-1-ene.
What is the SMILES notation for 3,3-dichloro-1,2,3-trifluoroprop-1-ene?
The canonical SMILES for 3,3-dichloro-1,2,3-trifluoroprop-1-ene is FC=C(F)C(F)(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1,2,3-trifluoroprop-1-ene?
The InChIKey is JPQBQZFPXPHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F3/c4-3(5,8)2(7)1-6/h1H.
What are the key properties of 3,3-dichloro-1,2,3-trifluoroprop-1-ene?
3,3-dichloro-1,2,3-trifluoroprop-1-ene has a molecular weight of 164.94 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1,2,3-trifluoroprop-1-ene is sourced from PubChem (CID 154475695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).