chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane

C4H2Cl2F8 — CID 160658903

IUPACchloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(F)C(F)(F)Cl.FC(F)Cl
InChIInChI=1S/C3HClF6.CHClF2/c4-3(9,10)2(7,8)1(5)6;2-1(3)4/h1H;1H
InChIKeyRLKHXMGFQBJWAW-UHFFFAOYSA-N
MW272.95 g/mol
LogP4.17
Rot. Bonds2

About chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane

chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane (PubChem CID 160658903) has the molecular formula C4H2Cl2F8 and a molecular weight of 272.95 g/mol. Its IUPAC name is chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane.

Molecular Properties

Compound Namechloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
PubChem CID160658903
Molecular FormulaC4H2Cl2F8
Molecular Weight272.95 g/mol
Exact Mass271.94
IUPAC Namechloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(F)C(F)(F)Cl.FC(F)Cl
InChIInChI=1S/C3HClF6.CHClF2/c4-3(9,10)2(7,8)1(5)6;2-1(3)4/h1H;1H
InChIKeyRLKHXMGFQBJWAW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.95
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,2,2-trichloro-1,1,3,3-tetrafluoropropane
CID 23237203
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(difluoro)methane
CID 102425690
(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite
CID 11322705
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
CID 172837284
CID 172837284
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429

Frequently Asked Questions

What is the IUPAC name of chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane?
The IUPAC name of chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane (CID 160658903) is chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane.
What is the SMILES notation for chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane?
The canonical SMILES for chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane is FC(F)C(F)(F)C(F)(F)Cl.FC(F)Cl.
What is the InChIKey of chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane?
The InChIKey is RLKHXMGFQBJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF6.CHClF2/c4-3(9,10)2(7,8)1(5)6;2-1(3)4/h1H;1H.
What are the key properties of chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane?
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane has a molecular weight of 272.95 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane is sourced from PubChem (CID 160658903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).