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

C10H13FO2 — CID 146429651

IUPAC2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
SMILESCC1=CC(C2OCCO2)=CCC1F
InChIInChI=1S/C10H13FO2/c1-7-6-8(2-3-9(7)11)10-12-4-5-13-10/h2,6,9-10H,3-5H2,1H3
InChIKeyVTIQDESTNFVWND-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.97
Rot. Bonds1

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

2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane (PubChem CID 146429651) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
PubChem CID146429651
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
SMILESCC1=CC(C2OCCO2)=CCC1F
InChIInChI=1S/C10H13FO2/c1-7-6-8(2-3-9(7)11)10-12-4-5-13-10/h2,6,9-10H,3-5H2,1H3
InChIKeyVTIQDESTNFVWND-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Citracetal
CID 1615097
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
4-(1,3-Dioxolan-2-yl)phenylmagnesium bromide, 0.5M in THF
CID 12585013
2-(2-Lithiophenyl)-1,3-dioxolane
CID 19784314
2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane
CID 139297674
2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane
CID 144896558
2-(5-Fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-1,3-dioxolane
CID 163531243
Lithium 2-methyl-2-phenyl-1,3-dioxolane
CID 15629141
Magnesium;2-phenyl-1,3-dioxolane;chloride
CID 135085756
2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane
CID 143318415
2-(1,3-Dioxolan-2-yl)phenylmagnesium bromide
CID 10977979

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane (CID 146429651) is 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane is CC1=CC(C2OCCO2)=CCC1F.
What is the InChIKey of 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane?
The InChIKey is VTIQDESTNFVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7-6-8(2-3-9(7)11)10-12-4-5-13-10/h2,6,9-10H,3-5H2,1H3.
What are the key properties of 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane?
2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane has a molecular weight of 184.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane is sourced from PubChem (CID 146429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).