3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane

C11H13F9O — CID 58425859

IUPAC3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
SMILESCCC1CC(F)(C(F)(F)OCF)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H13F9O/c1-3-6-4-8(15,11(19,20)21-5-12)10(17,18)9(6,16)7(2,13)14/h6H,3-5H2,1-2H3
InChIKeyUJWBBRANISAPFL-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.66
Rot. Bonds5

About 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane

3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane (PubChem CID 58425859) has the molecular formula C11H13F9O and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
PubChem CID58425859
Molecular FormulaC11H13F9O
Molecular Weight332.21 g/mol
Exact Mass332.08
IUPAC Name3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
SMILESCCC1CC(F)(C(F)(F)OCF)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H13F9O/c1-3-6-4-8(15,11(19,20)21-5-12)10(17,18)9(6,16)7(2,13)14/h6H,3-5H2,1-2H3
InChIKeyUJWBBRANISAPFL-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane (CID 58425859) is 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane is CCC1CC(F)(C(F)(F)OCF)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane?
The InChIKey is UJWBBRANISAPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9O/c1-3-6-4-8(15,11(19,20)21-5-12)10(17,18)9(6,16)7(2,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane?
3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane has a molecular weight of 332.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane is sourced from PubChem (CID 58425859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).