6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran

C12H21FO — CID 71070338

IUPAC6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(CC(C)C(C)F)OCC(C)C1
InChIInChI=1S/C12H21FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9,11H,5-7H2,1-4H3
InChIKeyXHORGVBPLJUXDL-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.70
Rot. Bonds3

About 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran

6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 71070338) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID71070338
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(CC(C)C(C)F)OCC(C)C1
InChIInChI=1S/C12H21FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9,11H,5-7H2,1-4H3
InChIKeyXHORGVBPLJUXDL-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 71070338) is 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran is CC1=C(CC(C)C(C)F)OCC(C)C1.
What is the InChIKey of 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is XHORGVBPLJUXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 200.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71070338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).