1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane

C12H19F7O3 — CID 153499432

IUPAC1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
SMILESCCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C12H19F7O3/c1-3-9(14)6-10(12(17,18)19,11(15,16)7-13)22-8-21-5-4-20-2/h9H,3-8H2,1-2H3
InChIKeyRSZIOLFTRXOXRF-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.67
Rot. Bonds11

About 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane

1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane (PubChem CID 153499432) has the molecular formula C12H19F7O3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
PubChem CID153499432
Molecular FormulaC12H19F7O3
Molecular Weight344.27 g/mol
Exact Mass344.12
IUPAC Name1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
SMILESCCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C12H19F7O3/c1-3-9(14)6-10(12(17,18)19,11(15,16)7-13)22-8-21-5-4-20-2/h9H,3-8H2,1-2H3
InChIKeyRSZIOLFTRXOXRF-UHFFFAOYSA-N
XLogP3.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.67
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

[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2,2,4,4,7-Pentafluoro-5-(methoxymethoxy)-5-(trifluoromethyl)nonane
CID 20764965
1,5,5,7,7-Pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
CID 20781750
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898
2,2,4,4,7-Pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
CID 59189159
4-Ethyl-2,2,3,4-tetrafluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59482649
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
CID 90191552
Fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 91230957
4-Ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 91301072
1,1,1-Trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 118052177

Frequently Asked Questions

What is the IUPAC name of 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane?
The IUPAC name of 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane (CID 153499432) is 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane.
What is the SMILES notation for 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane?
The canonical SMILES for 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane is CCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CF.
What is the InChIKey of 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane?
The InChIKey is RSZIOLFTRXOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F7O3/c1-3-9(14)6-10(12(17,18)19,11(15,16)7-13)22-8-21-5-4-20-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane?
1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane has a molecular weight of 344.27 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane is sourced from PubChem (CID 153499432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).