(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene

C17H31F3 — CID 138525999

IUPAC(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene
SMILESC/C=C/CCCCC(F)(F)C(C)C(C)(CC)C(C)(C)F
InChIInChI=1S/C17H31F3/c1-7-9-10-11-12-13-17(19,20)14(3)16(6,8-2)15(4,5)18/h7,9,14H,8,10-13H2,1-6H3/b9-7+
InChIKeyVDHLHCRPBLFJMA-VQHVLOKHSA-N
MW292.43 g/mol
LogP6.56
Rot. Bonds9

About (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene

(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene (PubChem CID 138525999) has the molecular formula C17H31F3 and a molecular weight of 292.43 g/mol. Its IUPAC name is (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene.

Molecular Properties

Compound Name(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene
PubChem CID138525999
Molecular FormulaC17H31F3
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene
SMILESC/C=C/CCCCC(F)(F)C(C)C(C)(CC)C(C)(C)F
InChIInChI=1S/C17H31F3/c1-7-9-10-11-12-13-17(19,20)14(3)16(6,8-2)15(4,5)18/h7,9,14H,8,10-13H2,1-6H3/b9-7+
InChIKeyVDHLHCRPBLFJMA-VQHVLOKHSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene?
The IUPAC name of (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene (CID 138525999) is (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene.
What is the SMILES notation for (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene?
The canonical SMILES for (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene is C/C=C/CCCCC(F)(F)C(C)C(C)(CC)C(C)(C)F.
What is the InChIKey of (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene?
The InChIKey is VDHLHCRPBLFJMA-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H31F3/c1-7-9-10-11-12-13-17(19,20)14(3)16(6,8-2)15(4,5)18/h7,9,14H,8,10-13H2,1-6H3/b9-7+.
What are the key properties of (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene?
(E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene has a molecular weight of 292.43 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-ethyl-8,8,11-trifluoro-9,10,11-trimethyldodec-2-ene is sourced from PubChem (CID 138525999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).