6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran

C8H13FO — CID 134364499

IUPAC6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCC1=C(CF)CCCO1
InChIInChI=1S/C8H13FO/c1-2-8-7(6-9)4-3-5-10-8/h2-6H2,1H3
InChIKeyWTWRDUHVPSCRCV-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.43
Rot. Bonds2

About 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran

6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 134364499) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID134364499
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran
SMILESCCC1=C(CF)CCCO1
InChIInChI=1S/C8H13FO/c1-2-8-7(6-9)4-3-5-10-8/h2-6H2,1H3
InChIKeyWTWRDUHVPSCRCV-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran (CID 134364499) is 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran is CCC1=C(CF)CCCO1.
What is the InChIKey of 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is WTWRDUHVPSCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-8-7(6-9)4-3-5-10-8/h2-6H2,1H3.
What are the key properties of 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran?
6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 144.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 134364499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).