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

C12H21FO — CID 71070311

IUPAC6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(CC(F)CC)CC(C)CO1
InChIInChI=1S/C12H21FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h9,11H,4-8H2,1-3H3
InChIKeyFBQPBTNJTXXVEV-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.85
Rot. Bonds4

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

6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 71070311) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID71070311
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(CC(F)CC)CC(C)CO1
InChIInChI=1S/C12H21FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h9,11H,4-8H2,1-3H3
InChIKeyFBQPBTNJTXXVEV-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran (CID 71070311) is 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran is CCC1=C(CC(F)CC)CC(C)CO1.
What is the InChIKey of 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is FBQPBTNJTXXVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-4-11(13)7-10-6-9(3)8-14-12(10)5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran?
6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 200.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).