2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene

C13H25FO — CID 123166155

IUPAC2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene
SMILESCC(=CCCCC(C)C(C)C)OC(C)F
InChIInChI=1S/C13H25FO/c1-10(2)11(3)8-6-7-9-12(4)15-13(5)14/h9-11,13H,6-8H2,1-5H3
InChIKeyYWSUVWUAEMHSKY-UHFFFAOYSA-N
MW216.34 g/mol
LogP4.68
Rot. Bonds7

About 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene

2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene (PubChem CID 123166155) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene.

Molecular Properties

Compound Name2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene
PubChem CID123166155
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene
SMILESCC(=CCCCC(C)C(C)C)OC(C)F
InChIInChI=1S/C13H25FO/c1-10(2)11(3)8-6-7-9-12(4)15-13(5)14/h9-11,13H,6-8H2,1-5H3
InChIKeyYWSUVWUAEMHSKY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-(2-Fluoroethoxy)-4,5-dimethylhept-2-ene
CID 123729444
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 121222363
(2-Ethoxy-3,3,3-trifluoroprop-1-enyl)cyclohexane
CID 131881692
6-(3-Ethoxybut-2-enyl)-1,5,5-trimethylcyclohexene
CID 57302463
(3R,4S)-2-[(2R)-butan-2-yl]-3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 90352354
(3R)-2-[(2R)-butan-2-yl]-3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 90352501
(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 122492127
2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 123666530
(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 158209023
6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran
CID 167317830

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene?
The IUPAC name of 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene (CID 123166155) is 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene.
What is the SMILES notation for 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene?
The canonical SMILES for 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene is CC(=CCCCC(C)C(C)C)OC(C)F.
What is the InChIKey of 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene?
The InChIKey is YWSUVWUAEMHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO/c1-10(2)11(3)8-6-7-9-12(4)15-13(5)14/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene?
2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene has a molecular weight of 216.34 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxy)-7,8-dimethylnon-2-ene is sourced from PubChem (CID 123166155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).