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

C10H15FO — CID 89247336

IUPAC6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C10H15FO/c1-3-10-9(4-5-11)6-8(2)7-12-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyBKUKXUYGIHGCJA-SNAWJCMRSA-N
MW170.23 g/mol
LogP3.19
Rot. Bonds2

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

6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247336) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247336
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(/C=C/F)CC(C)CO1
InChIInChI=1S/C10H15FO/c1-3-10-9(4-5-11)6-8(2)7-12-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyBKUKXUYGIHGCJA-SNAWJCMRSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran (CID 89247336) is 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran is CCC1=C(/C=C/F)CC(C)CO1.
What is the InChIKey of 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is BKUKXUYGIHGCJA-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15FO/c1-3-10-9(4-5-11)6-8(2)7-12-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran?
6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 170.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).