2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane

C14H16F4O2 — CID 58555668

IUPAC2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane
SMILESCCCC1CCC(C(F)(F)Oc2ccc(F)c(F)c2)O1
InChIInChI=1S/C14H16F4O2/c1-2-3-9-5-7-13(19-9)14(17,18)20-10-4-6-11(15)12(16)8-10/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyCNPYJWCLKIDUMQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP4.28
Rot. Bonds5

About 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane

2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane (PubChem CID 58555668) has the molecular formula C14H16F4O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane
PubChem CID58555668
Molecular FormulaC14H16F4O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC Name2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane
SMILESCCCC1CCC(C(F)(F)Oc2ccc(F)c(F)c2)O1
InChIInChI=1S/C14H16F4O2/c1-2-3-9-5-7-13(19-9)14(17,18)20-10-4-6-11(15)12(16)8-10/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyCNPYJWCLKIDUMQ-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-5-propyloxane
CID 89280353
[3-fluoro-4-(trifluoromethyl)phenyl] 5-propyloxolane-2-carboxylate
CID 58555608
4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;methane;molecular hydrogen
CID 158144019
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
1-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118604522
[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-propyloxolan-2-yl)cyclohexyl]cyclohexane-1-carboxylate
CID 58555433
4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 59641363
4-[1,1-difluoro-3-[4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexyl]propoxy]-1,2-difluorobenzene
CID 59048837
2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
CID 58555666
4-[difluoro-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluorobenzene
CID 122502306
2-[[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-3,5-difluorophenoxy]-difluoromethyl]-5-propyloxane
CID 89280423
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane?
The IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane (CID 58555668) is 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane?
The canonical SMILES for 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane is CCCC1CCC(C(F)(F)Oc2ccc(F)c(F)c2)O1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane?
The InChIKey is CNPYJWCLKIDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O2/c1-2-3-9-5-7-13(19-9)14(17,18)20-10-4-6-11(15)12(16)8-10/h4,6,8-9,13H,2-3,5,7H2,1H3.
What are the key properties of 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane?
2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane has a molecular weight of 292.27 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane is sourced from PubChem (CID 58555668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).