1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane

C7H7F7O2 — CID 20802181

IUPAC1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(COC)C(F)(F)F
InChIInChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14/h1,3H2,2H3
InChIKeyDPMKHKGSIPKRSC-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.95
Rot. Bonds5

About 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 20802181) has the molecular formula C7H7F7O2 and a molecular weight of 256.12 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID20802181
Molecular FormulaC7H7F7O2
Molecular Weight256.12 g/mol
Exact Mass256.03
IUPAC Name1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(COC)C(F)(F)F
InChIInChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14/h1,3H2,2H3
InChIKeyDPMKHKGSIPKRSC-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14766787
CID 14766787
CID 20525326
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CID 20793141
CID 20793141
CID 20802178
CID 20802178
CID 20802179
CID 20802179
CID 22897551
CID 22897551
CID 54110883
CID 54110883
CID 58219823
CID 58219823
CID 58695024
CID 58695024
CID 58864059
CID 58864059

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 20802181) is 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(COC)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is DPMKHKGSIPKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O2/c1-4(8)6(10,11)16-5(9,3-15-2)7(12,13)14/h1,3H2,2H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 256.12 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 20802181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).