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

C3HCl2F3 — CID 521135

IUPAC1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl
InChIInChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyZHJBJVPTRJNNIK-UHFFFAOYSA-N
MW164.94 g/mol
LogP2.87
Rot. Bonds

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

1,2-dichloro-3,3,3-trifluoroprop-1-ene (PubChem CID 521135) has the molecular formula C3HCl2F3 and a molecular weight of 164.94 g/mol. Its IUPAC name is 1,2-dichloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1,2-dichloro-3,3,3-trifluoroprop-1-ene
PubChem CID521135
Molecular FormulaC3HCl2F3
Molecular Weight164.94 g/mol
Exact Mass163.94
IUPAC Name1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl
InChIInChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyZHJBJVPTRJNNIK-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

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Related Compounds

(Z)-1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 5371734
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 160547390
(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 45075677
(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
CID 21459272
CID 14849495
CID 14849495
(Z)-1,2,3,3,4-pentachlorobut-1-ene
CID 13307656
(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
CID 6442893
1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene
CID 154432879
(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
CID 96880598
1,1,2-trichloroethene
CID 23616282
2-chloro-4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 90747408
2,3,5,6,7-pentachloro-5-methylhepta-1,3,6-triene
CID 88620289

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1,2-dichloro-3,3,3-trifluoroprop-1-ene (CID 521135) is 1,2-dichloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1,2-dichloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)C(Cl)=CCl.
What is the InChIKey of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is ZHJBJVPTRJNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H.
What are the key properties of 1,2-dichloro-3,3,3-trifluoroprop-1-ene?
1,2-dichloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 164.94 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).