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

C14H14F4O — CID 118586986

IUPAC3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CCC(c2ccc(C)c(C(F)(F)F)c2F)CO1
InChIInChI=1S/C14H14F4O/c1-8-3-6-11(10-5-4-9(2)19-7-10)13(15)12(8)14(16,17)18/h3-4,6,10H,5,7H2,1-2H3
InChIKeyWORJCBHITNSUGA-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.56
Rot. Bonds1

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

3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 118586986) has the molecular formula C14H14F4O and a molecular weight of 274.26 g/mol. Its IUPAC name is 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran
PubChem CID118586986
Molecular FormulaC14H14F4O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CCC(c2ccc(C)c(C(F)(F)F)c2F)CO1
InChIInChI=1S/C14H14F4O/c1-8-3-6-11(10-5-4-9(2)19-7-10)13(15)12(8)14(16,17)18/h3-4,6,10H,5,7H2,1-2H3
InChIKeyWORJCBHITNSUGA-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran (CID 118586986) is 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran is CC1=CCC(c2ccc(C)c(C(F)(F)F)c2F)CO1.
What is the InChIKey of 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is WORJCBHITNSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O/c1-8-3-6-11(10-5-4-9(2)19-7-10)13(15)12(8)14(16,17)18/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran?
3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 274.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).