6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran

C14H14F4O — CID 118586607

IUPAC6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2=CCC(C)CO2)c(F)c1C(F)(F)F
InChIInChI=1S/C14H14F4O/c1-8-3-6-11(19-7-8)10-5-4-9(2)12(13(10)15)14(16,17)18/h4-6,8H,3,7H2,1-2H3
InChIKeyYQIRRUFPCSXZNK-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.55
Rot. Bonds1

About 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran

6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 118586607) has the molecular formula C14H14F4O and a molecular weight of 274.26 g/mol. Its IUPAC name is 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID118586607
Molecular FormulaC14H14F4O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2=CCC(C)CO2)c(F)c1C(F)(F)F
InChIInChI=1S/C14H14F4O/c1-8-3-6-11(19-7-8)10-5-4-9(2)12(13(10)15)14(16,17)18/h4-6,8H,3,7H2,1-2H3
InChIKeyYQIRRUFPCSXZNK-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran (CID 118586607) is 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran is Cc1ccc(C2=CCC(C)CO2)c(F)c1C(F)(F)F.
What is the InChIKey of 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is YQIRRUFPCSXZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O/c1-8-3-6-11(19-7-8)10-5-4-9(2)12(13(10)15)14(16,17)18/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran?
6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 274.26 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).