10,10,10-trifluoro-3,6-dimethyldecanenitrile

C12H20F3N — CID 130359029

IUPAC10,10,10-trifluoro-3,6-dimethyldecanenitrile
SMILESCC(CC#N)CCC(C)CCCC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-10(4-3-8-12(13,14)15)5-6-11(2)7-9-16/h10-11H,3-8H2,1-2H3
InChIKeyGNQHFRRNANOENI-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.69
Rot. Bonds7

About 10,10,10-trifluoro-3,6-dimethyldecanenitrile

10,10,10-trifluoro-3,6-dimethyldecanenitrile (PubChem CID 130359029) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 10,10,10-trifluoro-3,6-dimethyldecanenitrile.

Molecular Properties

Compound Name10,10,10-trifluoro-3,6-dimethyldecanenitrile
PubChem CID130359029
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name10,10,10-trifluoro-3,6-dimethyldecanenitrile
SMILESCC(CC#N)CCC(C)CCCC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-10(4-3-8-12(13,14)15)5-6-11(2)7-9-16/h10-11H,3-8H2,1-2H3
InChIKeyGNQHFRRNANOENI-UHFFFAOYSA-N
XLogP4.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10,10-trifluoro-3,6-dimethyldecanenitrile?
The IUPAC name of 10,10,10-trifluoro-3,6-dimethyldecanenitrile (CID 130359029) is 10,10,10-trifluoro-3,6-dimethyldecanenitrile.
What is the SMILES notation for 10,10,10-trifluoro-3,6-dimethyldecanenitrile?
The canonical SMILES for 10,10,10-trifluoro-3,6-dimethyldecanenitrile is CC(CC#N)CCC(C)CCCC(F)(F)F.
What is the InChIKey of 10,10,10-trifluoro-3,6-dimethyldecanenitrile?
The InChIKey is GNQHFRRNANOENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-10(4-3-8-12(13,14)15)5-6-11(2)7-9-16/h10-11H,3-8H2,1-2H3.
What are the key properties of 10,10,10-trifluoro-3,6-dimethyldecanenitrile?
10,10,10-trifluoro-3,6-dimethyldecanenitrile has a molecular weight of 235.29 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-trifluoro-3,6-dimethyldecanenitrile is sourced from PubChem (CID 130359029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).