5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran

C9H13FO — CID 89247407

IUPAC5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C9H13FO/c1-7-5-9(3-4-10)8(2)11-6-7/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyUQTUQYRABNVLOO-ONEGZZNKSA-N
MW156.20 g/mol
LogP2.80
Rot. Bonds1

About 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran

5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 89247407) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID89247407
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C9H13FO/c1-7-5-9(3-4-10)8(2)11-6-7/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyUQTUQYRABNVLOO-ONEGZZNKSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran (CID 89247407) is 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran is CC1=C(/C=C/F)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is UQTUQYRABNVLOO-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H13FO/c1-7-5-9(3-4-10)8(2)11-6-7/h3-4,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 156.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).