1,1,1-trifluoro-4,8-dimethylnonane

C11H21F3 — CID 11063709

IUPAC1,1,1-trifluoro-4,8-dimethylnonane
SMILESCC(C)CCCC(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyPXHOSUJNPNHDAJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.79
Rot. Bonds6

About 1,1,1-trifluoro-4,8-dimethylnonane

1,1,1-trifluoro-4,8-dimethylnonane (PubChem CID 11063709) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,8-dimethylnonane.

Molecular Properties

Compound Name1,1,1-trifluoro-4,8-dimethylnonane
PubChem CID11063709
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,1,1-trifluoro-4,8-dimethylnonane
SMILESCC(C)CCCC(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyPXHOSUJNPNHDAJ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,8-dimethylnonane?
The IUPAC name of 1,1,1-trifluoro-4,8-dimethylnonane (CID 11063709) is 1,1,1-trifluoro-4,8-dimethylnonane.
What is the SMILES notation for 1,1,1-trifluoro-4,8-dimethylnonane?
The canonical SMILES for 1,1,1-trifluoro-4,8-dimethylnonane is CC(C)CCCC(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,8-dimethylnonane?
The InChIKey is PXHOSUJNPNHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-9(2)5-4-6-10(3)7-8-11(12,13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4,8-dimethylnonane?
1,1,1-trifluoro-4,8-dimethylnonane has a molecular weight of 210.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,8-dimethylnonane is sourced from PubChem (CID 11063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).