3-fluoro-2,2-dimethyl-3H-furan

C6H9FO — CID 174962493

IUPAC3-fluoro-2,2-dimethyl-3H-furan
SMILESCC1(C)OC=CC1F
InChIInChI=1S/C6H9FO/c1-6(2)5(7)3-4-8-6/h3-5H,1-2H3
InChIKeyFZLLEJBAEJCKLV-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds

About 3-fluoro-2,2-dimethyl-3H-furan

3-fluoro-2,2-dimethyl-3H-furan (PubChem CID 174962493) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3H-furan.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3H-furan
PubChem CID174962493
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name3-fluoro-2,2-dimethyl-3H-furan
SMILESCC1(C)OC=CC1F
InChIInChI=1S/C6H9FO/c1-6(2)5(7)3-4-8-6/h3-5H,1-2H3
InChIKeyFZLLEJBAEJCKLV-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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-2,2-dimethyl-3H-furan?
The IUPAC name of 3-fluoro-2,2-dimethyl-3H-furan (CID 174962493) is 3-fluoro-2,2-dimethyl-3H-furan.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3H-furan?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3H-furan is CC1(C)OC=CC1F.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3H-furan?
The InChIKey is FZLLEJBAEJCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-6(2)5(7)3-4-8-6/h3-5H,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3H-furan?
3-fluoro-2,2-dimethyl-3H-furan has a molecular weight of 116.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3H-furan is sourced from PubChem (CID 174962493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).