4-(fluoromethyl)-1,3-dioxole

C4H5FO2 — CID 141070308

IUPAC4-(fluoromethyl)-1,3-dioxole
SMILESFCC1=COCO1
InChIInChI=1S/C4H5FO2/c5-1-4-2-6-3-7-4/h2H,1,3H2
InChIKeyIKOZBJBQOGXLSE-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.80
Rot. Bonds1

About 4-(fluoromethyl)-1,3-dioxole

4-(fluoromethyl)-1,3-dioxole (PubChem CID 141070308) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-dioxole
PubChem CID141070308
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name4-(fluoromethyl)-1,3-dioxole
SMILESFCC1=COCO1
InChIInChI=1S/C4H5FO2/c5-1-4-2-6-3-7-4/h2H,1,3H2
InChIKeyIKOZBJBQOGXLSE-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxole, 4-methyl-
CID 518996
2-Methoxy-4-methyl-1,3-dioxole
CID 85761265
2,2-Difluoro-4-methyl-1,3-dioxole
CID 54353344
4-(Fluoromethyl)-1,3-dioxol-2-one
CID 66743104
4-(Trifluoromethyl)-1,3-dioxole
CID 70018450
4-Fluoro-5-methyl-1,3-dioxole
CID 118065688
4-(Fluoromethyl)-2-methyl-1,3-dioxole
CID 141356833
4-(Fluoromethyl)-2,2-dimethyl-1,3-dioxole
CID 141464250
4-Methyl-2-methylidene-1,3-dioxole
CID 85805457
Ethane;4-methyl-1,3-dioxole
CID 172593172

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-dioxole?
The IUPAC name of 4-(fluoromethyl)-1,3-dioxole (CID 141070308) is 4-(fluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-(fluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-(fluoromethyl)-1,3-dioxole is FCC1=COCO1.
What is the InChIKey of 4-(fluoromethyl)-1,3-dioxole?
The InChIKey is IKOZBJBQOGXLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c5-1-4-2-6-3-7-4/h2H,1,3H2.
What are the key properties of 4-(fluoromethyl)-1,3-dioxole?
4-(fluoromethyl)-1,3-dioxole has a molecular weight of 104.08 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-dioxole is sourced from PubChem (CID 141070308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).