chloroform;1,1-difluoroethene

C3H3Cl3F2 — CID 175134807

IUPACchloroform;1,1-difluoroethene
SMILESC=C(F)F.ClC(Cl)Cl
InChIInChI=1S/C2H2F2.CHCl3/c1-2(3)4;2-1(3)4/h1H2;1H
InChIKeyYYWZCSWCUPTUTH-UHFFFAOYSA-N
MW183.41 g/mol
LogP3.38
Rot. Bonds

About chloroform;1,1-difluoroethene

chloroform;1,1-difluoroethene (PubChem CID 175134807) has the molecular formula C3H3Cl3F2 and a molecular weight of 183.41 g/mol. Its IUPAC name is chloroform;1,1-difluoroethene.

Molecular Properties

Compound Namechloroform;1,1-difluoroethene
PubChem CID175134807
Molecular FormulaC3H3Cl3F2
Molecular Weight183.41 g/mol
Exact Mass181.93
IUPAC Namechloroform;1,1-difluoroethene
SMILESC=C(F)F.ClC(Cl)Cl
InChIInChI=1S/C2H2F2.CHCl3/c1-2(3)4;2-1(3)4/h1H2;1H
InChIKeyYYWZCSWCUPTUTH-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.41
LogP ≤ 53.38
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

1,1-difluoroethene fluoride
CID 22395607
1,1-difluoroethene;dihydrofluoride
CID 118676228
1,1-difluoroethene;hydroiodide
CID 158690822
1,1-difluoroethene;hydroxylamine
CID 171932245
1,1-difluoroethene;1,1,2,2-tetrafluoroethene;hexahydrofluoride
CID 171928221
1,1-difluoroethene;1,1,2,2-tetrafluoroethene;dihydrofluoride
CID 175105060
trichloro(113C)methane
CID 10176135
1,1-difluoroethene;1,1,2,2-tetrafluoroethene;hydrofluoride
CID 175105057
chloroform;methanol
CID 173309675
chloroform;methanol
CID 173018799
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218

Frequently Asked Questions

What is the IUPAC name of chloroform;1,1-difluoroethene?
The IUPAC name of chloroform;1,1-difluoroethene (CID 175134807) is chloroform;1,1-difluoroethene.
What is the SMILES notation for chloroform;1,1-difluoroethene?
The canonical SMILES for chloroform;1,1-difluoroethene is C=C(F)F.ClC(Cl)Cl.
What is the InChIKey of chloroform;1,1-difluoroethene?
The InChIKey is YYWZCSWCUPTUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2.CHCl3/c1-2(3)4;2-1(3)4/h1H2;1H.
What are the key properties of chloroform;1,1-difluoroethene?
chloroform;1,1-difluoroethene has a molecular weight of 183.41 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;1,1-difluoroethene is sourced from PubChem (CID 175134807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).