2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane

C10H13FO3 — CID 163531243

IUPAC2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane
SMILESCOC1=CC=C(C2OCCO2)CC1F
InChIInChI=1S/C10H13FO3/c1-12-9-3-2-7(6-8(9)11)10-13-4-5-14-10/h2-3,8,10H,4-6H2,1H3
InChIKeyDTEOESBCLUAATE-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.56
Rot. Bonds2

About 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane

2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane (PubChem CID 163531243) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane
PubChem CID163531243
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane
SMILESCOC1=CC=C(C2OCCO2)CC1F
InChIInChI=1S/C10H13FO3/c1-12-9-3-2-7(6-8(9)11)10-13-4-5-14-10/h2-3,8,10H,4-6H2,1H3
InChIKeyDTEOESBCLUAATE-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane (CID 163531243) is 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane is COC1=CC=C(C2OCCO2)CC1F.
What is the InChIKey of 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane?
The InChIKey is DTEOESBCLUAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-12-9-3-2-7(6-8(9)11)10-13-4-5-14-10/h2-3,8,10H,4-6H2,1H3.
What are the key properties of 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane?
2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane has a molecular weight of 200.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane is sourced from PubChem (CID 163531243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).