2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran

C9H13FO — CID 89306006

IUPAC2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
SMILESCC=CC1=CCC(CF)OC1
InChIInChI=1S/C9H13FO/c1-2-3-8-4-5-9(6-10)11-7-8/h2-4,9H,5-7H2,1H3
InChIKeyHBYYUMIGBWHKLP-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.25
Rot. Bonds2

About 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran

2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran (PubChem CID 89306006) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
PubChem CID89306006
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
SMILESCC=CC1=CCC(CF)OC1
InChIInChI=1S/C9H13FO/c1-2-3-8-4-5-9(6-10)11-7-8/h2-4,9H,5-7H2,1H3
InChIKeyHBYYUMIGBWHKLP-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran (CID 89306006) is 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran is CC=CC1=CCC(CF)OC1.
What is the InChIKey of 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran?
The InChIKey is HBYYUMIGBWHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-3-8-4-5-9(6-10)11-7-8/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran?
2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran has a molecular weight of 156.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 89306006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).