3-fluoro-1-methoxycyclopentene

C6H9FO — CID 21447475

IUPAC3-fluoro-1-methoxycyclopentene
SMILESCOC1=CC(F)CC1
InChIInChI=1S/C6H9FO/c1-8-6-3-2-5(7)4-6/h4-5H,2-3H2,1H3
InChIKeyKRZTYIFEHFXELN-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds1

About 3-fluoro-1-methoxycyclopentene

3-fluoro-1-methoxycyclopentene (PubChem CID 21447475) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 3-fluoro-1-methoxycyclopentene.

Molecular Properties

Compound Name3-fluoro-1-methoxycyclopentene
PubChem CID21447475
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name3-fluoro-1-methoxycyclopentene
SMILESCOC1=CC(F)CC1
InChIInChI=1S/C6H9FO/c1-8-6-3-2-5(7)4-6/h4-5H,2-3H2,1H3
InChIKeyKRZTYIFEHFXELN-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxycyclopentene?
The IUPAC name of 3-fluoro-1-methoxycyclopentene (CID 21447475) is 3-fluoro-1-methoxycyclopentene.
What is the SMILES notation for 3-fluoro-1-methoxycyclopentene?
The canonical SMILES for 3-fluoro-1-methoxycyclopentene is COC1=CC(F)CC1.
What is the InChIKey of 3-fluoro-1-methoxycyclopentene?
The InChIKey is KRZTYIFEHFXELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-8-6-3-2-5(7)4-6/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluoro-1-methoxycyclopentene?
3-fluoro-1-methoxycyclopentene has a molecular weight of 116.13 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxycyclopentene is sourced from PubChem (CID 21447475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).