3-(fluoromethoxy)hexane

C7H15FO — CID 18724441

IUPAC3-(fluoromethoxy)hexane
SMILESCCCC(CC)OCF
InChIInChI=1S/C7H15FO/c1-3-5-7(4-2)9-6-8/h7H,3-6H2,1-2H3
InChIKeyAFSCVISMEOUGQE-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.51
Rot. Bonds5

About 3-(fluoromethoxy)hexane

3-(fluoromethoxy)hexane (PubChem CID 18724441) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 3-(fluoromethoxy)hexane.

Molecular Properties

Compound Name3-(fluoromethoxy)hexane
PubChem CID18724441
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name3-(fluoromethoxy)hexane
SMILESCCCC(CC)OCF
InChIInChI=1S/C7H15FO/c1-3-5-7(4-2)9-6-8/h7H,3-6H2,1-2H3
InChIKeyAFSCVISMEOUGQE-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxypentane
CID 522287
Isopropyl fluoromethyl ether
CID 21954138
3-Methoxyhexane
CID 542372
2-(Fluoromethoxy)hexane
CID 20614891
4-(Fluoromethoxy)heptane
CID 20614895
1-Fluoro-2-methoxybutane
CID 20783144
2-Fluoro-3-methoxybutane
CID 21749122
3-(Trifluoromethoxy)hexane
CID 53801262
2-(Trifluoromethoxy)pentane
CID 53851025
1,2,5-Trifluoro-3-methoxypentane
CID 53946303
1,1,1-Trifluoro-2-methoxypentane
CID 54008273
2,4-Difluoro-3-methoxypentane
CID 54166532

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)hexane?
The IUPAC name of 3-(fluoromethoxy)hexane (CID 18724441) is 3-(fluoromethoxy)hexane.
What is the SMILES notation for 3-(fluoromethoxy)hexane?
The canonical SMILES for 3-(fluoromethoxy)hexane is CCCC(CC)OCF.
What is the InChIKey of 3-(fluoromethoxy)hexane?
The InChIKey is AFSCVISMEOUGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-3-5-7(4-2)9-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-(fluoromethoxy)hexane?
3-(fluoromethoxy)hexane has a molecular weight of 134.19 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)hexane is sourced from PubChem (CID 18724441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).