3,3-difluoro-2-methyl-2H-furan

C5H6F2O — CID 59796077

IUPAC3,3-difluoro-2-methyl-2H-furan
SMILESCC1OC=CC1(F)F
InChIInChI=1S/C5H6F2O/c1-4-5(6,7)2-3-8-4/h2-4H,1H3
InChIKeyKYFKFBUVCHGYCF-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.55
Rot. Bonds

About 3,3-difluoro-2-methyl-2H-furan

3,3-difluoro-2-methyl-2H-furan (PubChem CID 59796077) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2H-furan.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2H-furan
PubChem CID59796077
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name3,3-difluoro-2-methyl-2H-furan
SMILESCC1OC=CC1(F)F
InChIInChI=1S/C5H6F2O/c1-4-5(6,7)2-3-8-4/h2-4H,1H3
InChIKeyKYFKFBUVCHGYCF-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-2H-furan?
The IUPAC name of 3,3-difluoro-2-methyl-2H-furan (CID 59796077) is 3,3-difluoro-2-methyl-2H-furan.
What is the SMILES notation for 3,3-difluoro-2-methyl-2H-furan?
The canonical SMILES for 3,3-difluoro-2-methyl-2H-furan is CC1OC=CC1(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-2H-furan?
The InChIKey is KYFKFBUVCHGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c1-4-5(6,7)2-3-8-4/h2-4H,1H3.
What are the key properties of 3,3-difluoro-2-methyl-2H-furan?
3,3-difluoro-2-methyl-2H-furan has a molecular weight of 120.10 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-2H-furan is sourced from PubChem (CID 59796077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).