2-(trifluoromethyl)-4H-pyran

C6H5F3O — CID 90303370

IUPAC2-(trifluoromethyl)-4H-pyran
SMILESFC(F)(F)C1=CCC=CO1
InChIInChI=1S/C6H5F3O/c7-6(8,9)5-3-1-2-4-10-5/h2-4H,1H2
InChIKeyYUHOALFEDQMCDX-UHFFFAOYSA-N
MW150.10 g/mol
LogP2.37
Rot. Bonds

About 2-(trifluoromethyl)-4H-pyran

2-(trifluoromethyl)-4H-pyran (PubChem CID 90303370) has the molecular formula C6H5F3O and a molecular weight of 150.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4H-pyran.

Molecular Properties

Compound Name2-(trifluoromethyl)-4H-pyran
PubChem CID90303370
Molecular FormulaC6H5F3O
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name2-(trifluoromethyl)-4H-pyran
SMILESFC(F)(F)C1=CCC=CO1
InChIInChI=1S/C6H5F3O/c7-6(8,9)5-3-1-2-4-10-5/h2-4H,1H2
InChIKeyYUHOALFEDQMCDX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
CID 10750852
Difluoromethyl 4h pyran
CID 129814137
2-(Trifluoromethyl)-4,5-dihydrooxepine
CID 10464652
6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 53441788
5-(Difluoromethyl)-2,3-dihydrofuran
CID 54083806
3-Methoxy-1,1,1,5,5,5-hexafluoropent-2-ene
CID 54169582
1-Trifluoromethyl-1-ethoxy-1,4-pentadiene
CID 54194461
6-(difluoromethyl)-3,4-dihydro-2H-pyran
CID 54476084
(4Z)-5-ethoxy-6,6,6-trifluorohexa-1,4-diene
CID 88746907
6-Fluoro-1-(trifluoromethoxy)cyclohexa-1,4-diene
CID 90911895
1-(Difluoromethoxy)cyclohexa-1,4-diene
CID 91189554
3-(2,2,2-Trifluoroethoxy)pent-2-ene
CID 91508980

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4H-pyran?
The IUPAC name of 2-(trifluoromethyl)-4H-pyran (CID 90303370) is 2-(trifluoromethyl)-4H-pyran.
What is the SMILES notation for 2-(trifluoromethyl)-4H-pyran?
The canonical SMILES for 2-(trifluoromethyl)-4H-pyran is FC(F)(F)C1=CCC=CO1.
What is the InChIKey of 2-(trifluoromethyl)-4H-pyran?
The InChIKey is YUHOALFEDQMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O/c7-6(8,9)5-3-1-2-4-10-5/h2-4H,1H2.
What are the key properties of 2-(trifluoromethyl)-4H-pyran?
2-(trifluoromethyl)-4H-pyran has a molecular weight of 150.10 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4H-pyran is sourced from PubChem (CID 90303370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).