4-(fluoromethoxy)heptane

C8H17FO — CID 20614895

IUPAC4-(fluoromethoxy)heptane
SMILESCCCC(CCC)OCF
InChIInChI=1S/C8H17FO/c1-3-5-8(6-4-2)10-7-9/h8H,3-7H2,1-2H3
InChIKeyIUDSTKMGLLHPCC-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.90
Rot. Bonds6

About 4-(fluoromethoxy)heptane

4-(fluoromethoxy)heptane (PubChem CID 20614895) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 4-(fluoromethoxy)heptane.

Molecular Properties

Compound Name4-(fluoromethoxy)heptane
PubChem CID20614895
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name4-(fluoromethoxy)heptane
SMILESCCCC(CCC)OCF
InChIInChI=1S/C8H17FO/c1-3-5-8(6-4-2)10-7-9/h8H,3-7H2,1-2H3
InChIKeyIUDSTKMGLLHPCC-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(1-propylbutyl) ether
CID 20223251
1-Fluoro-2-methoxycyclododecane
CID 85213313
4-Methoxyheptane
CID 20744741
3-(Fluoromethoxy)hexane
CID 18724441
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
CID 18952775
2-(Fluoromethoxy)octane
CID 21028966
4-Fluoro-3-methoxyoctane
CID 54495180
4-(2,2,2-Trifluoroethoxy)heptane
CID 59612061
3-(Difluoromethoxy)-2-fluoroheptane
CID 87252095
1-Fluoro-4-(6-fluorohexan-3-yloxy)hexane
CID 87765078
1-Fluoro-5-methoxytridecane
CID 88294293
1-Fluoro-2-(1-fluorohexan-2-yloxy)hexane
CID 89313461

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)heptane?
The IUPAC name of 4-(fluoromethoxy)heptane (CID 20614895) is 4-(fluoromethoxy)heptane.
What is the SMILES notation for 4-(fluoromethoxy)heptane?
The canonical SMILES for 4-(fluoromethoxy)heptane is CCCC(CCC)OCF.
What is the InChIKey of 4-(fluoromethoxy)heptane?
The InChIKey is IUDSTKMGLLHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-5-8(6-4-2)10-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-(fluoromethoxy)heptane?
4-(fluoromethoxy)heptane has a molecular weight of 148.22 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)heptane is sourced from PubChem (CID 20614895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).