1-(2-fluoroethoxy)-3,5,5-trimethylhexane

C11H23FO — CID 54376322

IUPAC1-(2-fluoroethoxy)-3,5,5-trimethylhexane
SMILESCC(CCOCCF)CC(C)(C)C
InChIInChI=1S/C11H23FO/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10H,5-9H2,1-4H3
InChIKeyUWSYLEQLYKDRAE-UHFFFAOYSA-N
MW190.30 g/mol
LogP3.43
Rot. Bonds6

About 1-(2-fluoroethoxy)-3,5,5-trimethylhexane

1-(2-fluoroethoxy)-3,5,5-trimethylhexane (PubChem CID 54376322) has the molecular formula C11H23FO and a molecular weight of 190.30 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-3,5,5-trimethylhexane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-3,5,5-trimethylhexane
PubChem CID54376322
Molecular FormulaC11H23FO
Molecular Weight190.30 g/mol
Exact Mass190.17
IUPAC Name1-(2-fluoroethoxy)-3,5,5-trimethylhexane
SMILESCC(CCOCCF)CC(C)(C)C
InChIInChI=1S/C11H23FO/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10H,5-9H2,1-4H3
InChIKeyUWSYLEQLYKDRAE-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(3,5,5-trimethyl-1-hexyl) ether
CID 57048725
1-Ethoxy-3-ethyl-5-methylhexane
CID 231562
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
(3S)-3,4-ditert-butyl-5-(1-fluoroethyl)oxane
CID 89936024
(3S)-3,4-ditert-butyl-5-(fluoromethyl)oxane
CID 89936032
(4S)-3,4-ditert-butyl-2-(fluoromethyl)oxane
CID 89936036
Fluoromethane;1,1,1-trifluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane;hydrofluoride
CID 91168841
1-Ethoxy-2,2-difluoro-5,5-dimethylhexane
CID 117860256
3-(1-Fluoro-3-methylbutan-2-yl)oxolane
CID 118303927
4-(Difluoromethyl)-3,4-di(propan-2-yl)oxane
CID 121421960
(3R,4R)-4-(difluoromethyl)-3,4-di(propan-2-yl)oxane
CID 121421961

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-3,5,5-trimethylhexane?
The IUPAC name of 1-(2-fluoroethoxy)-3,5,5-trimethylhexane (CID 54376322) is 1-(2-fluoroethoxy)-3,5,5-trimethylhexane.
What is the SMILES notation for 1-(2-fluoroethoxy)-3,5,5-trimethylhexane?
The canonical SMILES for 1-(2-fluoroethoxy)-3,5,5-trimethylhexane is CC(CCOCCF)CC(C)(C)C.
What is the InChIKey of 1-(2-fluoroethoxy)-3,5,5-trimethylhexane?
The InChIKey is UWSYLEQLYKDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10H,5-9H2,1-4H3.
What are the key properties of 1-(2-fluoroethoxy)-3,5,5-trimethylhexane?
1-(2-fluoroethoxy)-3,5,5-trimethylhexane has a molecular weight of 190.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-3,5,5-trimethylhexane is sourced from PubChem (CID 54376322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).