5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran

C11H16F2O — CID 71070306

IUPAC5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC(F)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C11H16F2O/c1-3-10(13)11-9(4-5-12)6-8(2)7-14-11/h4-5,8,10H,3,6-7H2,1-2H3/b5-4+
InChIKeyDJQKJTAYOMQQIG-SNAWJCMRSA-N
MW202.24 g/mol
LogP3.53
Rot. Bonds3

About 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran

5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 71070306) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID71070306
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC(F)C1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C11H16F2O/c1-3-10(13)11-9(4-5-12)6-8(2)7-14-11/h4-5,8,10H,3,6-7H2,1-2H3/b5-4+
InChIKeyDJQKJTAYOMQQIG-SNAWJCMRSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.53
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]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran (CID 71070306) is 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran is CCC(F)C1=C(/C=C/F)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is DJQKJTAYOMQQIG-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16F2O/c1-3-10(13)11-9(4-5-12)6-8(2)7-14-11/h4-5,8,10H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 202.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).