1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane

C12H25FO2 — CID 126561839

IUPAC1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane
SMILESCCCCOCOCC(CF)CC(C)C
InChIInChI=1S/C12H25FO2/c1-4-5-6-14-10-15-9-12(8-13)7-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFHIWIAYWPYVWCA-UHFFFAOYSA-N
MW220.33 g/mol
LogP3.41
Rot. Bonds10

About 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane

1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane (PubChem CID 126561839) has the molecular formula C12H25FO2 and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane.

Molecular Properties

Compound Name1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane
PubChem CID126561839
Molecular FormulaC12H25FO2
Molecular Weight220.33 g/mol
Exact Mass220.18
IUPAC Name1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane
SMILESCCCCOCOCC(CF)CC(C)C
InChIInChI=1S/C12H25FO2/c1-4-5-6-14-10-15-9-12(8-13)7-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFHIWIAYWPYVWCA-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(butoxymethoxy)propan-2-ol
CID 131855718
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678
1-(butoxymethoxy)-6-chloro-4-methylheptane
CID 172535194
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
2-(fluoromethyl)-3-hexadecoxypropan-1-ol
CID 21299142
2-[2-(2-methylpropyl)nonoxy]ethanamine
CID 150465081
1-chloro-4-methyl-2-(propoxymethyl)pentane
CID 165446574
CID 88668128
CID 88668128
1-(4-methylheptoxymethoxy)octane
CID 172535111
butoxymethyl 3-methylbutanoate
CID 89029796
10-(butoxymethyl)henicosane
CID 87840055
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane?
The IUPAC name of 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane (CID 126561839) is 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane.
What is the SMILES notation for 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane?
The canonical SMILES for 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane is CCCCOCOCC(CF)CC(C)C.
What is the InChIKey of 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane?
The InChIKey is FHIWIAYWPYVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO2/c1-4-5-6-14-10-15-9-12(8-13)7-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane?
1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane has a molecular weight of 220.33 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane is sourced from PubChem (CID 126561839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).