(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene

C12H22F2 — CID 176963028

IUPAC(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
SMILESC/C=C/C(F)(F)CC(CC)CC(C)C
InChIInChI=1S/C12H22F2/c1-5-7-12(13,14)9-11(6-2)8-10(3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+
InChIKeyDSSKVYUTXLWPFM-FNORWQNLSA-N
MW204.30 g/mol
LogP4.66
Rot. Bonds6

About (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene

(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene (PubChem CID 176963028) has the molecular formula C12H22F2 and a molecular weight of 204.30 g/mol. Its IUPAC name is (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene.

Molecular Properties

Compound Name(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
PubChem CID176963028
Molecular FormulaC12H22F2
Molecular Weight204.30 g/mol
Exact Mass204.17
IUPAC Name(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
SMILESC/C=C/C(F)(F)CC(CC)CC(C)C
InChIInChI=1S/C12H22F2/c1-5-7-12(13,14)9-11(6-2)8-10(3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+
InChIKeyDSSKVYUTXLWPFM-FNORWQNLSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 54.66
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 (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene?
The IUPAC name of (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene (CID 176963028) is (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene.
What is the SMILES notation for (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene?
The canonical SMILES for (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene is C/C=C/C(F)(F)CC(CC)CC(C)C.
What is the InChIKey of (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene?
The InChIKey is DSSKVYUTXLWPFM-FNORWQNLSA-N. The full InChI is InChI=1S/C12H22F2/c1-5-7-12(13,14)9-11(6-2)8-10(3)4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene?
(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene has a molecular weight of 204.30 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene is sourced from PubChem (CID 176963028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).