3-fluoro-4-nonan-4-yloxane

C14H27FO — CID 146325830

IUPAC3-fluoro-4-nonan-4-yloxane
SMILESCCCCCC(CCC)C1CCOCC1F
InChIInChI=1S/C14H27FO/c1-3-5-6-8-12(7-4-2)13-9-10-16-11-14(13)15/h12-14H,3-11H2,1-2H3
InChIKeyLFQUZPMEFOLJBB-UHFFFAOYSA-N
MW230.37 g/mol
LogP4.36
Rot. Bonds7

About 3-fluoro-4-nonan-4-yloxane

3-fluoro-4-nonan-4-yloxane (PubChem CID 146325830) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is 3-fluoro-4-nonan-4-yloxane.

Molecular Properties

Compound Name3-fluoro-4-nonan-4-yloxane
PubChem CID146325830
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name3-fluoro-4-nonan-4-yloxane
SMILESCCCCCC(CCC)C1CCOCC1F
InChIInChI=1S/C14H27FO/c1-3-5-6-8-12(7-4-2)13-9-10-16-11-14(13)15/h12-14H,3-11H2,1-2H3
InChIKeyLFQUZPMEFOLJBB-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.36
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

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
(Ethoxymethyl)cyclododecane
CID 3018713
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
2H-Pyran, 3-cyclohexyltetrahydro-
CID 12298433

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nonan-4-yloxane?
The IUPAC name of 3-fluoro-4-nonan-4-yloxane (CID 146325830) is 3-fluoro-4-nonan-4-yloxane.
What is the SMILES notation for 3-fluoro-4-nonan-4-yloxane?
The canonical SMILES for 3-fluoro-4-nonan-4-yloxane is CCCCCC(CCC)C1CCOCC1F.
What is the InChIKey of 3-fluoro-4-nonan-4-yloxane?
The InChIKey is LFQUZPMEFOLJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO/c1-3-5-6-8-12(7-4-2)13-9-10-16-11-14(13)15/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-fluoro-4-nonan-4-yloxane?
3-fluoro-4-nonan-4-yloxane has a molecular weight of 230.37 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nonan-4-yloxane is sourced from PubChem (CID 146325830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).