3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan

C8H12F2O — CID 134254538

IUPAC3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan
SMILESCC1=C(C(C)C)OCC1(F)F
InChIInChI=1S/C8H12F2O/c1-5(2)7-6(3)8(9,10)4-11-7/h5H,4H2,1-3H3
InChIKeyRXHYGEGZJKAIKK-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.58
Rot. Bonds1

About 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan

3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan (PubChem CID 134254538) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan
PubChem CID134254538
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan
SMILESCC1=C(C(C)C)OCC1(F)F
InChIInChI=1S/C8H12F2O/c1-5(2)7-6(3)8(9,10)4-11-7/h5H,4H2,1-3H3
InChIKeyRXHYGEGZJKAIKK-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan?
The IUPAC name of 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan (CID 134254538) is 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan.
What is the SMILES notation for 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan?
The canonical SMILES for 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan is CC1=C(C(C)C)OCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan?
The InChIKey is RXHYGEGZJKAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5(2)7-6(3)8(9,10)4-11-7/h5H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan?
3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan has a molecular weight of 162.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-5-propan-2-yl-2H-furan is sourced from PubChem (CID 134254538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).