ethane;trihydrofluoride

C2H9F3 — CID 172845852

IUPACethane;trihydrofluoride
SMILESCC.F.F.F
InChIInChI=1S/C2H6.3FH/c1-2;;;/h1-2H3;3*1H
InChIKeyXKGKLYUXFRFGKU-UHFFFAOYSA-N
MW90.09 g/mol
LogP1.48
Rot. Bonds

About ethane;trihydrofluoride

ethane;trihydrofluoride (PubChem CID 172845852) has the molecular formula C2H9F3 and a molecular weight of 90.09 g/mol. Its IUPAC name is ethane;trihydrofluoride.

Molecular Properties

Compound Nameethane;trihydrofluoride
PubChem CID172845852
Molecular FormulaC2H9F3
Molecular Weight90.09 g/mol
Exact Mass90.07
IUPAC Nameethane;trihydrofluoride
SMILESCC.F.F.F
InChIInChI=1S/C2H6.3FH/c1-2;;;/h1-2H3;3*1H
InChIKeyXKGKLYUXFRFGKU-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.09
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;trihydrofluoride?
The IUPAC name of ethane;trihydrofluoride (CID 172845852) is ethane;trihydrofluoride.
What is the SMILES notation for ethane;trihydrofluoride?
The canonical SMILES for ethane;trihydrofluoride is CC.F.F.F.
What is the InChIKey of ethane;trihydrofluoride?
The InChIKey is XKGKLYUXFRFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.3FH/c1-2;;;/h1-2H3;3*1H.
What are the key properties of ethane;trihydrofluoride?
ethane;trihydrofluoride has a molecular weight of 90.09 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trihydrofluoride is sourced from PubChem (CID 172845852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).