1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane

C4H2F8O — CID 59950278

IUPAC1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane
SMILESFCC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1-2(6,3(7,8)9)13-4(10,11)12/h1H2
InChIKeyMTYQGFSSHXSZDR-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.72
Rot. Bonds2

About 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane

1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane (PubChem CID 59950278) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane
PubChem CID59950278
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane
SMILESFCC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1-2(6,3(7,8)9)13-4(10,11)12/h1H2
InChIKeyMTYQGFSSHXSZDR-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,2,3,3-Hexafluoro-1-(trifluoromethoxy)propane
CID 45075664
Difluoromethyl 2H-perfluoropropyl ether
CID 2778269
2a(Difluoromethoxy)a1,1,1,2,3,3ahexafluoropropane
CID 44582440
1,1,2,3,3,3-Hexafluoropropyl ether
CID 15155218
Hexafluorodimethylcarbinol
CID 19366123
Difluoromethyl-1-fluoro-2,2,2-trifluoroethyl ether
CID 21647381
1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)butane
CID 71358567
1,1,1,2,3,3,3-Heptafluoro-2-(fluoromethoxy)propane
CID 21532706
1,1,1,2,3,3-Hexafluoro-3-(fluoromethoxy)propane
CID 54071183
1,1,1,2,2,3,3-Heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2-(Trifluoromethoxy)perfluoropropane
CID 10220655
1,1,1,2,3,3-Hexafluoro-3-(trifluoromethoxy)propane
CID 11857384

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane (CID 59950278) is 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane is FCC(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane?
The InChIKey is MTYQGFSSHXSZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O/c5-1-2(6,3(7,8)9)13-4(10,11)12/h1H2.
What are the key properties of 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane?
1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane has a molecular weight of 218.04 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3-pentafluoro-2-(trifluoromethoxy)propane is sourced from PubChem (CID 59950278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).