chloro(trifluoro)methane;ethane

C3H6ClF3 — CID 23131533

IUPACchloro(trifluoro)methane;ethane
SMILESCC.FC(F)(F)Cl
InChIInChI=1S/C2H6.CClF3/c1-2;2-1(3,4)5/h1-2H3;
InChIKeyNQVKMLPFBCRIFU-UHFFFAOYSA-N
MW134.53 g/mol
LogP2.77
Rot. Bonds

About chloro(trifluoro)methane;ethane

chloro(trifluoro)methane;ethane (PubChem CID 23131533) has the molecular formula C3H6ClF3 and a molecular weight of 134.53 g/mol. Its IUPAC name is chloro(trifluoro)methane;ethane.

Molecular Properties

Compound Namechloro(trifluoro)methane;ethane
PubChem CID23131533
Molecular FormulaC3H6ClF3
Molecular Weight134.53 g/mol
Exact Mass134.01
IUPAC Namechloro(trifluoro)methane;ethane
SMILESCC.FC(F)(F)Cl
InChIInChI=1S/C2H6.CClF3/c1-2;2-1(3,4)5/h1-2H3;
InChIKeyNQVKMLPFBCRIFU-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(trifluoro)methane;ethane?
The IUPAC name of chloro(trifluoro)methane;ethane (CID 23131533) is chloro(trifluoro)methane;ethane.
What is the SMILES notation for chloro(trifluoro)methane;ethane?
The canonical SMILES for chloro(trifluoro)methane;ethane is CC.FC(F)(F)Cl.
What is the InChIKey of chloro(trifluoro)methane;ethane?
The InChIKey is NQVKMLPFBCRIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CClF3/c1-2;2-1(3,4)5/h1-2H3;.
What are the key properties of chloro(trifluoro)methane;ethane?
chloro(trifluoro)methane;ethane has a molecular weight of 134.53 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(trifluoro)methane;ethane is sourced from PubChem (CID 23131533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).