propanedinitrile;1,1,1-trifluoropropane

C6H7F3N2 — CID 160734333

IUPACpropanedinitrile;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.N#CCC#N
InChIInChI=1S/C3H5F3.C3H2N2/c1-2-3(4,5)6;4-2-1-3-5/h2H2,1H3;1H2
InChIKeyRUTDRGQBTBYRAA-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.38
Rot. Bonds

About propanedinitrile;1,1,1-trifluoropropane

propanedinitrile;1,1,1-trifluoropropane (PubChem CID 160734333) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is propanedinitrile;1,1,1-trifluoropropane.

Molecular Properties

Compound Namepropanedinitrile;1,1,1-trifluoropropane
PubChem CID160734333
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Namepropanedinitrile;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.N#CCC#N
InChIInChI=1S/C3H5F3.C3H2N2/c1-2-3(4,5)6;4-2-1-3-5/h2H2,1H3;1H2
InChIKeyRUTDRGQBTBYRAA-UHFFFAOYSA-N
XLogP2.38
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanedinitrile;1,1,1-trifluoropropane?
The IUPAC name of propanedinitrile;1,1,1-trifluoropropane (CID 160734333) is propanedinitrile;1,1,1-trifluoropropane.
What is the SMILES notation for propanedinitrile;1,1,1-trifluoropropane?
The canonical SMILES for propanedinitrile;1,1,1-trifluoropropane is CCC(F)(F)F.N#CCC#N.
What is the InChIKey of propanedinitrile;1,1,1-trifluoropropane?
The InChIKey is RUTDRGQBTBYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.C3H2N2/c1-2-3(4,5)6;4-2-1-3-5/h2H2,1H3;1H2.
What are the key properties of propanedinitrile;1,1,1-trifluoropropane?
propanedinitrile;1,1,1-trifluoropropane has a molecular weight of 164.13 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanedinitrile;1,1,1-trifluoropropane is sourced from PubChem (CID 160734333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).