4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol

C17H21F13O5 — CID 163500789

IUPAC4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol
SMILESCCC(F)(F)OC1CC(F)(F)C1OC(F)(F)CC(F)(F)COCC(F)OC(F)(F)CC(F)(F)CO
InChIInChI=1S/C17H21F13O5/c1-2-15(25,26)33-9-3-14(23,24)11(9)35-17(29,30)6-13(21,22)8-32-4-10(18)34-16(27,28)5-12(19,20)7-31/h9-11,31H,2-8H2,1H3
InChIKeyCUNJYDUGFIEHKD-UHFFFAOYSA-N
MW552.32 g/mol
LogP5.36
Rot. Bonds16

About 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol

4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol (PubChem CID 163500789) has the molecular formula C17H21F13O5 and a molecular weight of 552.32 g/mol. Its IUPAC name is 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol
PubChem CID163500789
Molecular FormulaC17H21F13O5
Molecular Weight552.32 g/mol
Exact Mass552.12
IUPAC Name4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol
SMILESCCC(F)(F)OC1CC(F)(F)C1OC(F)(F)CC(F)(F)COCC(F)OC(F)(F)CC(F)(F)CO
InChIInChI=1S/C17H21F13O5/c1-2-15(25,26)33-9-3-14(23,24)11(9)35-17(29,30)6-13(21,22)8-32-4-10(18)34-16(27,28)5-12(19,20)7-31/h9-11,31H,2-8H2,1H3
InChIKeyCUNJYDUGFIEHKD-UHFFFAOYSA-N
XLogP5.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol?
The IUPAC name of 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol (CID 163500789) is 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol.
What is the SMILES notation for 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol?
The canonical SMILES for 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol is CCC(F)(F)OC1CC(F)(F)C1OC(F)(F)CC(F)(F)COCC(F)OC(F)(F)CC(F)(F)CO.
What is the InChIKey of 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol?
The InChIKey is CUNJYDUGFIEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F13O5/c1-2-15(25,26)33-9-3-14(23,24)11(9)35-17(29,30)6-13(21,22)8-32-4-10(18)34-16(27,28)5-12(19,20)7-31/h9-11,31H,2-8H2,1H3.
What are the key properties of 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol?
4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol has a molecular weight of 552.32 g/mol, XLogP of 5.36, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(1,1-difluoropropoxy)-2,2-difluorocyclobutyl]oxy-2,2,4,4-tetrafluorobutoxy]-1-fluoroethoxy]-2,2,4,4-tetrafluorobutan-1-ol is sourced from PubChem (CID 163500789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).