1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol

C7H10F2O2 — CID 102654846

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol
SMILESOC(C1=CCCCO1)C(F)F
InChIInChI=1S/C7H10F2O2/c8-7(9)6(10)5-3-1-2-4-11-5/h3,6-7,10H,1-2,4H2
InChIKeyQRJJMILPOOGRTP-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.31
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol

1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol (PubChem CID 102654846) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol
PubChem CID102654846
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol
SMILESOC(C1=CCCCO1)C(F)F
InChIInChI=1S/C7H10F2O2/c8-7(9)6(10)5-3-1-2-4-11-5/h3,6-7,10H,1-2,4H2
InChIKeyQRJJMILPOOGRTP-UHFFFAOYSA-N
XLogP1.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol (CID 102654846) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol is OC(C1=CCCCO1)C(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol?
The InChIKey is QRJJMILPOOGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)6(10)5-3-1-2-4-11-5/h3,6-7,10H,1-2,4H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol has a molecular weight of 164.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol is sourced from PubChem (CID 102654846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).