1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride

C4H6Cl2F4 — CID 157459309

IUPAC1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
SMILESC=C(F)F.CC(F)(F)Cl.Cl
InChIInChI=1S/C2H3ClF2.C2H2F2.ClH/c1-2(3,4)5;1-2(3)4;/h1H3;1H2;1H
InChIKeyOYXSTOVWJGBTQU-UHFFFAOYSA-N
MW200.99 g/mol
LogP3.66
Rot. Bonds

About 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride

1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride (PubChem CID 157459309) has the molecular formula C4H6Cl2F4 and a molecular weight of 200.99 g/mol. Its IUPAC name is 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride.

Molecular Properties

Compound Name1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
PubChem CID157459309
Molecular FormulaC4H6Cl2F4
Molecular Weight200.99 g/mol
Exact Mass199.98
IUPAC Name1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
SMILESC=C(F)F.CC(F)(F)Cl.Cl
InChIInChI=1S/C2H3ClF2.C2H2F2.ClH/c1-2(3,4)5;1-2(3)4;/h1H3;1H2;1H
InChIKeyOYXSTOVWJGBTQU-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.99
LogP ≤ 53.66
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-chloro-1,1-difluoroethane;hydrate
CID 22410972
4,4,4-trichloro-2,3,3-trimethylbut-1-ene
CID 12632777
3-chloro-3,3-difluoroprop-1-en-2-ol
CID 138715829
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236
2,3-dichloro-3-methylbut-1-ene
CID 12615568
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
CID 119096846
carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218
1,1-difluoroethene;dihydrofluoride
CID 118676228
trichloro(fluoro)methane;hydrochloride
CID 88794151
1,1-difluoroethene fluoride
CID 22395607
1,1-difluoroethene;hydroiodide
CID 158690822
2,4,4-trifluoropent-1-ene
CID 118215285

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride?
The IUPAC name of 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride (CID 157459309) is 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride.
What is the SMILES notation for 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride?
The canonical SMILES for 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride is C=C(F)F.CC(F)(F)Cl.Cl.
What is the InChIKey of 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride?
The InChIKey is OYXSTOVWJGBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2.C2H2F2.ClH/c1-2(3,4)5;1-2(3)4;/h1H3;1H2;1H.
What are the key properties of 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride?
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride has a molecular weight of 200.99 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride is sourced from PubChem (CID 157459309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).