4-(trifluoromethyl)-2H-pyran

C6H5F3O — CID 70185127

IUPAC4-(trifluoromethyl)-2H-pyran
SMILESFC(F)(F)C1=CCOC=C1
InChIInChI=1S/C6H5F3O/c7-6(8,9)5-1-3-10-4-2-5/h1-3H,4H2
InChIKeyLLAYDPPJSSLVFY-UHFFFAOYSA-N
MW150.10 g/mol
LogP2.02
Rot. Bonds

About 4-(trifluoromethyl)-2H-pyran

4-(trifluoromethyl)-2H-pyran (PubChem CID 70185127) has the molecular formula C6H5F3O and a molecular weight of 150.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2H-pyran.

Molecular Properties

Compound Name4-(trifluoromethyl)-2H-pyran
PubChem CID70185127
Molecular FormulaC6H5F3O
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name4-(trifluoromethyl)-2H-pyran
SMILESFC(F)(F)C1=CCOC=C1
InChIInChI=1S/C6H5F3O/c7-6(8,9)5-1-3-10-4-2-5/h1-3H,4H2
InChIKeyLLAYDPPJSSLVFY-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2H-pyran?
The IUPAC name of 4-(trifluoromethyl)-2H-pyran (CID 70185127) is 4-(trifluoromethyl)-2H-pyran.
What is the SMILES notation for 4-(trifluoromethyl)-2H-pyran?
The canonical SMILES for 4-(trifluoromethyl)-2H-pyran is FC(F)(F)C1=CCOC=C1.
What is the InChIKey of 4-(trifluoromethyl)-2H-pyran?
The InChIKey is LLAYDPPJSSLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O/c7-6(8,9)5-1-3-10-4-2-5/h1-3H,4H2.
What are the key properties of 4-(trifluoromethyl)-2H-pyran?
4-(trifluoromethyl)-2H-pyran has a molecular weight of 150.10 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2H-pyran is sourced from PubChem (CID 70185127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).