3-fluoro-1-methoxypentane

C6H13FO — CID 159134850

IUPAC3-fluoro-1-methoxypentane
SMILESCCC(F)CCOC
InChIInChI=1S/C6H13FO/c1-3-6(7)4-5-8-2/h6H,3-5H2,1-2H3
InChIKeyKHIYMXJMFGQICI-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds4

About 3-fluoro-1-methoxypentane

3-fluoro-1-methoxypentane (PubChem CID 159134850) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 3-fluoro-1-methoxypentane.

Molecular Properties

Compound Name3-fluoro-1-methoxypentane
PubChem CID159134850
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name3-fluoro-1-methoxypentane
SMILESCCC(F)CCOC
InChIInChI=1S/C6H13FO/c1-3-6(7)4-5-8-2/h6H,3-5H2,1-2H3
InChIKeyKHIYMXJMFGQICI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-fluoro-1-methoxybutane
CID 149174257
3-fluorohexane;fluoromethane
CID 171506304
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
1-methoxypentane-3-thiol
CID 21429489
2-ethyl-4-methoxybutan-1-ol
CID 66058779
3-ethyl-5-methoxypentan-2-amine
CID 61000817
3-ethoxy-1,5-dimethoxypentane
CID 20810650
ethane;1-methoxy-3-methylbutane
CID 144580604
4-ethyl-6-methoxyhex-2-yne
CID 178086541
1,7-difluorononane
CID 168864708
1,1-dichloro-6-fluorooctane
CID 88501273
(1-methoxy-4-methylhexan-3-yl)hydrazine
CID 105206462

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxypentane?
The IUPAC name of 3-fluoro-1-methoxypentane (CID 159134850) is 3-fluoro-1-methoxypentane.
What is the SMILES notation for 3-fluoro-1-methoxypentane?
The canonical SMILES for 3-fluoro-1-methoxypentane is CCC(F)CCOC.
What is the InChIKey of 3-fluoro-1-methoxypentane?
The InChIKey is KHIYMXJMFGQICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-6(7)4-5-8-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxypentane?
3-fluoro-1-methoxypentane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxypentane is sourced from PubChem (CID 159134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).