3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran

C8H13FO — CID 177322573

IUPAC3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1=CCC(F)CO1
InChIInChI=1S/C8H13FO/c1-6(2)8-4-3-7(9)5-10-8/h4,6-7H,3,5H2,1-2H3
InChIKeyUQDZTSVLNVXKFY-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.28
Rot. Bonds1

About 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran

3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 177322573) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID177322573
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1=CCC(F)CO1
InChIInChI=1S/C8H13FO/c1-6(2)8-4-3-7(9)5-10-8/h4,6-7H,3,5H2,1-2H3
InChIKeyUQDZTSVLNVXKFY-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran (CID 177322573) is 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran is CC(C)C1=CCC(F)CO1.
What is the InChIKey of 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is UQDZTSVLNVXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6(2)8-4-3-7(9)5-10-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran?
3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 144.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 177322573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).