1,1,1-trifluoro-5-methylidenenonane

C10H17F3 — CID 146018294

IUPAC1,1,1-trifluoro-5-methylidenenonane
SMILESC=C(CCCC)CCCC(F)(F)F
InChIInChI=1S/C10H17F3/c1-3-4-6-9(2)7-5-8-10(11,12)13/h2-8H2,1H3
InChIKeyBWUJPEIVZVRVES-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.47
Rot. Bonds6

About 1,1,1-trifluoro-5-methylidenenonane

1,1,1-trifluoro-5-methylidenenonane (PubChem CID 146018294) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methylidenenonane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methylidenenonane
PubChem CID146018294
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,1,1-trifluoro-5-methylidenenonane
SMILESC=C(CCCC)CCCC(F)(F)F
InChIInChI=1S/C10H17F3/c1-3-4-6-9(2)7-5-8-10(11,12)13/h2-8H2,1H3
InChIKeyBWUJPEIVZVRVES-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methylidenenonane?
The IUPAC name of 1,1,1-trifluoro-5-methylidenenonane (CID 146018294) is 1,1,1-trifluoro-5-methylidenenonane.
What is the SMILES notation for 1,1,1-trifluoro-5-methylidenenonane?
The canonical SMILES for 1,1,1-trifluoro-5-methylidenenonane is C=C(CCCC)CCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methylidenenonane?
The InChIKey is BWUJPEIVZVRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-3-4-6-9(2)7-5-8-10(11,12)13/h2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-methylidenenonane?
1,1,1-trifluoro-5-methylidenenonane has a molecular weight of 194.24 g/mol, XLogP of 4.47, 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-5-methylidenenonane is sourced from PubChem (CID 146018294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).