1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane

C12H10F14 — CID 87933698

IUPAC1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane
SMILESC=C(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c1-6(5-8(14,11(21,22)23)12(24,25)26)3-2-4-7(13,9(15,16)17)10(18,19)20/h1-5H2
InChIKeyQVNMOBABHXLBAT-UHFFFAOYSA-N
MW420.18 g/mol
LogP6.77
Rot. Bonds6

About 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane

1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane (PubChem CID 87933698) has the molecular formula C12H10F14 and a molecular weight of 420.18 g/mol. Its IUPAC name is 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane
PubChem CID87933698
Molecular FormulaC12H10F14
Molecular Weight420.18 g/mol
Exact Mass420.06
IUPAC Name1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane
SMILESC=C(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c1-6(5-8(14,11(21,22)23)12(24,25)26)3-2-4-7(13,9(15,16)17)10(18,19)20/h1-5H2
InChIKeyQVNMOBABHXLBAT-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.18
LogP ≤ 56.77
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 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane (CID 87933698) is 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane is C=C(CCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane?
The InChIKey is QVNMOBABHXLBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F14/c1-6(5-8(14,11(21,22)23)12(24,25)26)3-2-4-7(13,9(15,16)17)10(18,19)20/h1-5H2.
What are the key properties of 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane?
1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane has a molecular weight of 420.18 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,8,9,9,9-octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane is sourced from PubChem (CID 87933698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).