1-fluoro-1-methoxypentane

C6H13FO — CID 138657313

IUPAC1-fluoro-1-methoxypentane
SMILESCCCCC(F)OC
InChIInChI=1S/C6H13FO/c1-3-4-5-6(7)8-2/h6H,3-5H2,1-2H3
InChIKeyLFYKLINZIYWHQK-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.12
Rot. Bonds4

About 1-fluoro-1-methoxypentane

1-fluoro-1-methoxypentane (PubChem CID 138657313) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-1-methoxypentane.

Molecular Properties

Compound Name1-fluoro-1-methoxypentane
PubChem CID138657313
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-1-methoxypentane
SMILESCCCCC(F)OC
InChIInChI=1S/C6H13FO/c1-3-4-5-6(7)8-2/h6H,3-5H2,1-2H3
InChIKeyLFYKLINZIYWHQK-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluorononane
CID 14113820
tributyl(2-methoxypropyl)phosphanium
CID 3025687
ethane;2-methoxyhexane
CID 91199174
(5S)-5-methoxyundecane
CID 118889956
(3S)-1,3-difluoroheptane
CID 148515317
4-fluoro-3-methyloctane
CID 89416555
3-(difluoromethoxy)heptane
CID 162428896
2-methoxyhexan-1-ol
CID 12754599
2-methoxyhexanenitrile
CID 13225791
(7R)-7-methoxy-2-methylundecane
CID 118890177
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
2-(difluoromethoxy)-1-fluoro-1-methoxyethane
CID 177367825

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methoxypentane?
The IUPAC name of 1-fluoro-1-methoxypentane (CID 138657313) is 1-fluoro-1-methoxypentane.
What is the SMILES notation for 1-fluoro-1-methoxypentane?
The canonical SMILES for 1-fluoro-1-methoxypentane is CCCCC(F)OC.
What is the InChIKey of 1-fluoro-1-methoxypentane?
The InChIKey is LFYKLINZIYWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-4-5-6(7)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-1-methoxypentane?
1-fluoro-1-methoxypentane has a molecular weight of 120.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methoxypentane is sourced from PubChem (CID 138657313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).