3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane

C14H21F7O3 — CID 59172704

IUPAC3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
SMILESCCC1(F)CC(OCOCCOC)(C(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C14H21F7O3/c1-4-12(19)7-13(10(15)16,24-8-23-6-5-22-3)14(20,21)9(12)11(2,17)18/h9-10H,4-8H2,1-3H3
InChIKeyYCWOYAFIBHEOCL-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.06
Rot. Bonds9

About 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane

3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane (PubChem CID 59172704) has the molecular formula C14H21F7O3 and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
PubChem CID59172704
Molecular FormulaC14H21F7O3
Molecular Weight370.31 g/mol
Exact Mass370.14
IUPAC Name3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
SMILESCCC1(F)CC(OCOCCOC)(C(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C14H21F7O3/c1-4-12(19)7-13(10(15)16,24-8-23-6-5-22-3)14(20,21)9(12)11(2,17)18/h9-10H,4-8H2,1-3H3
InChIKeyYCWOYAFIBHEOCL-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane (CID 59172704) is 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane is CCC1(F)CC(OCOCCOC)(C(F)F)C(F)(F)C1C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane?
The InChIKey is YCWOYAFIBHEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O3/c1-4-12(19)7-13(10(15)16,24-8-23-6-5-22-3)14(20,21)9(12)11(2,17)18/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane?
3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane has a molecular weight of 370.31 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane is sourced from PubChem (CID 59172704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).