4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran

C11H18F2O — CID 129266097

IUPAC4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran
SMILESCC(C)C1=C(C(C)C)C(F)(F)CCO1
InChIInChI=1S/C11H18F2O/c1-7(2)9-10(8(3)4)14-6-5-11(9,12)13/h7-8H,5-6H2,1-4H3
InChIKeyKSEMFLDYZHDOPU-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.61
Rot. Bonds2

About 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran

4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran (PubChem CID 129266097) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran.

Molecular Properties

Compound Name4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran
PubChem CID129266097
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran
SMILESCC(C)C1=C(C(C)C)C(F)(F)CCO1
InChIInChI=1S/C11H18F2O/c1-7(2)9-10(8(3)4)14-6-5-11(9,12)13/h7-8H,5-6H2,1-4H3
InChIKeyKSEMFLDYZHDOPU-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran?
The IUPAC name of 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran (CID 129266097) is 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran.
What is the SMILES notation for 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran?
The canonical SMILES for 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran is CC(C)C1=C(C(C)C)C(F)(F)CCO1.
What is the InChIKey of 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran?
The InChIKey is KSEMFLDYZHDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-7(2)9-10(8(3)4)14-6-5-11(9,12)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran?
4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran has a molecular weight of 204.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran is sourced from PubChem (CID 129266097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).