6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran

C9H14F2O — CID 118643064

IUPAC6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran
SMILESCC1=C(C)C(F)(F)OC(C)C1C
InChIInChI=1S/C9H14F2O/c1-5-6(2)8(4)12-9(10,11)7(5)3/h6,8H,1-4H3
InChIKeyRXLCTMKIPSJMMT-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.97
Rot. Bonds

About 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran

6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran (PubChem CID 118643064) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran
PubChem CID118643064
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran
SMILESCC1=C(C)C(F)(F)OC(C)C1C
InChIInChI=1S/C9H14F2O/c1-5-6(2)8(4)12-9(10,11)7(5)3/h6,8H,1-4H3
InChIKeyRXLCTMKIPSJMMT-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran (CID 118643064) is 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran is CC1=C(C)C(F)(F)OC(C)C1C.
What is the InChIKey of 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran?
The InChIKey is RXLCTMKIPSJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-5-6(2)8(4)12-9(10,11)7(5)3/h6,8H,1-4H3.
What are the key properties of 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran?
6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran has a molecular weight of 176.21 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,3,4,5-tetramethyl-2,3-dihydropyran is sourced from PubChem (CID 118643064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).