1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane

C14H25F3O3 — CID 58079136

IUPAC1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
SMILESCCC1CC(C)(OCOCCOC)CC1(F)C(C)(F)F
InChIInChI=1S/C14H25F3O3/c1-5-11-8-12(2,20-10-19-7-6-18-4)9-14(11,17)13(3,15)16/h11H,5-10H2,1-4H3
InChIKeyDHOMKSBHYHCATI-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.57
Rot. Bonds8

About 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane

1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane (PubChem CID 58079136) has the molecular formula C14H25F3O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
PubChem CID58079136
Molecular FormulaC14H25F3O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
SMILESCCC1CC(C)(OCOCCOC)CC1(F)C(C)(F)F
InChIInChI=1S/C14H25F3O3/c1-5-11-8-12(2,20-10-19-7-6-18-4)9-14(11,17)13(3,15)16/h11H,5-10H2,1-4H3
InChIKeyDHOMKSBHYHCATI-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.57
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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Related Compounds

3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 20770041
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 23597952
1-(1,1-Difluoroethyl)-2-ethyl-1-fluoro-4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclopentane
CID 57857582
1,2-Diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58100548
4-(Ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane
CID 58205791
3-(1,1-Difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane
CID 58895592
Tert-butyl [3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentyl]oxymethyl carbonate
CID 58937625
3-(1,1-Difluoroethyl)-1-[2-[[3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentyl]oxymethoxy]ethoxymethoxy]-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentane
CID 58971607
3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59130092
3-(1,1-Difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
CID 59172704
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59257512
1-[2-[[3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentyl]oxymethoxy]ethoxymethoxy]-4-ethyl-2,2,3-trifluoro-1,3-bis(trifluoromethyl)cyclopentane
CID 59366445

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The IUPAC name of 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane (CID 58079136) is 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The canonical SMILES for 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane is CCC1CC(C)(OCOCCOC)CC1(F)C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The InChIKey is DHOMKSBHYHCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O3/c1-5-11-8-12(2,20-10-19-7-6-18-4)9-14(11,17)13(3,15)16/h11H,5-10H2,1-4H3.
What are the key properties of 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane has a molecular weight of 298.35 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane is sourced from PubChem (CID 58079136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).