chloro(trifluoro)methane;1,1-difluoroethane

C3H4ClF5 — CID 161180973

IUPACchloro(trifluoro)methane;1,1-difluoroethane
SMILESCC(F)F.FC(F)(F)Cl
InChIInChI=1S/C2H4F2.CClF3/c1-2(3)4;2-1(3,4)5/h2H,1H3;
InChIKeyUSLIAXBGMLWTGM-UHFFFAOYSA-N
MW170.51 g/mol
LogP3.02
Rot. Bonds

About chloro(trifluoro)methane;1,1-difluoroethane

chloro(trifluoro)methane;1,1-difluoroethane (PubChem CID 161180973) has the molecular formula C3H4ClF5 and a molecular weight of 170.51 g/mol. Its IUPAC name is chloro(trifluoro)methane;1,1-difluoroethane.

Molecular Properties

Compound Namechloro(trifluoro)methane;1,1-difluoroethane
PubChem CID161180973
Molecular FormulaC3H4ClF5
Molecular Weight170.51 g/mol
Exact Mass169.99
IUPAC Namechloro(trifluoro)methane;1,1-difluoroethane
SMILESCC(F)F.FC(F)(F)Cl
InChIInChI=1S/C2H4F2.CClF3/c1-2(3)4;2-1(3,4)5/h2H,1H3;
InChIKeyUSLIAXBGMLWTGM-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.51
LogP ≤ 53.02
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

chloro(trifluoro)methane;ethane
CID 23131533
1,1-difluoroethane
CID 6368
2-chloro-2-fluoro-3-methylbutane
CID 88897527
chloro(trifluoro)methane;hydrofluoride
CID 158114823
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
3,4,4-trichloro-3-fluoro-2-methylbutan-2-ol
CID 119096858
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
2-chloro-1,2,2-trifluoroethanol
CID 57117523

Frequently Asked Questions

What is the IUPAC name of chloro(trifluoro)methane;1,1-difluoroethane?
The IUPAC name of chloro(trifluoro)methane;1,1-difluoroethane (CID 161180973) is chloro(trifluoro)methane;1,1-difluoroethane.
What is the SMILES notation for chloro(trifluoro)methane;1,1-difluoroethane?
The canonical SMILES for chloro(trifluoro)methane;1,1-difluoroethane is CC(F)F.FC(F)(F)Cl.
What is the InChIKey of chloro(trifluoro)methane;1,1-difluoroethane?
The InChIKey is USLIAXBGMLWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2.CClF3/c1-2(3)4;2-1(3,4)5/h2H,1H3;.
What are the key properties of chloro(trifluoro)methane;1,1-difluoroethane?
chloro(trifluoro)methane;1,1-difluoroethane has a molecular weight of 170.51 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(trifluoro)methane;1,1-difluoroethane is sourced from PubChem (CID 161180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).