2,2,5,6,6-pentafluoro-3H-pyran

C5H3F5O — CID 21052208

IUPAC2,2,5,6,6-pentafluoro-3H-pyran
SMILESFC1=CCC(F)(F)OC1(F)F
InChIInChI=1S/C5H3F5O/c6-3-1-2-4(7,8)11-5(3,9)10/h1H,2H2
InChIKeyYHFQROKRSGANGJ-UHFFFAOYSA-N
MW174.07 g/mol
LogP2.45
Rot. Bonds

About 2,2,5,6,6-pentafluoro-3H-pyran

2,2,5,6,6-pentafluoro-3H-pyran (PubChem CID 21052208) has the molecular formula C5H3F5O and a molecular weight of 174.07 g/mol. Its IUPAC name is 2,2,5,6,6-pentafluoro-3H-pyran.

Molecular Properties

Compound Name2,2,5,6,6-pentafluoro-3H-pyran
PubChem CID21052208
Molecular FormulaC5H3F5O
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name2,2,5,6,6-pentafluoro-3H-pyran
SMILESFC1=CCC(F)(F)OC1(F)F
InChIInChI=1S/C5H3F5O/c6-3-1-2-4(7,8)11-5(3,9)10/h1H,2H2
InChIKeyYHFQROKRSGANGJ-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20793131
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CID 162547328
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
CID 54327007
2,2-difluorooxirane
CID 19829575
(2S,5R)-2,5-dibromo-2,3,4,5-tetrafluorofuran
CID 23235462
1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene
CID 102247779
2,3-difluoro-2,3-diphenyloxirane
CID 87247066
2,2-difluoro-5H-cyclopenta[d][1,3]dioxole
CID 118487457
4,5,5-trifluoro-2-(trifluoromethyl)-2H-furan
CID 20793137
4,4,5,5,6-pentafluoro-2,3-dihydrooxepine
CID 154249670
4,4-difluoro-N-methylcyclohexen-1-amine
CID 162565161

Frequently Asked Questions

What is the IUPAC name of 2,2,5,6,6-pentafluoro-3H-pyran?
The IUPAC name of 2,2,5,6,6-pentafluoro-3H-pyran (CID 21052208) is 2,2,5,6,6-pentafluoro-3H-pyran.
What is the SMILES notation for 2,2,5,6,6-pentafluoro-3H-pyran?
The canonical SMILES for 2,2,5,6,6-pentafluoro-3H-pyran is FC1=CCC(F)(F)OC1(F)F.
What is the InChIKey of 2,2,5,6,6-pentafluoro-3H-pyran?
The InChIKey is YHFQROKRSGANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O/c6-3-1-2-4(7,8)11-5(3,9)10/h1H,2H2.
What are the key properties of 2,2,5,6,6-pentafluoro-3H-pyran?
2,2,5,6,6-pentafluoro-3H-pyran has a molecular weight of 174.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,6-pentafluoro-3H-pyran is sourced from PubChem (CID 21052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).