[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate

C10H11F7O3 — CID 58820919

IUPAC[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate
SMILESCCC1(F)CC(OC(=O)OC)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/C10H11F7O3/c1-3-7(12)4-8(10(15,16)17,20-6(18)19-2)9(13,14)5(7)11/h5H,3-4H2,1-2H3
InChIKeyDOTAVDPAXHCWQE-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.57
Rot. Bonds2

About [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate

[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate (PubChem CID 58820919) has the molecular formula C10H11F7O3 and a molecular weight of 312.18 g/mol. Its IUPAC name is [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate.

Molecular Properties

Compound Name[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate
PubChem CID58820919
Molecular FormulaC10H11F7O3
Molecular Weight312.18 g/mol
Exact Mass312.06
IUPAC Name[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate
SMILESCCC1(F)CC(OC(=O)OC)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/C10H11F7O3/c1-3-7(12)4-8(10(15,16)17,20-6(18)19-2)9(13,14)5(7)11/h5H,3-4H2,1-2H3
InChIKeyDOTAVDPAXHCWQE-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3,4,4,5,5,6-Heptafluoro-2-methylheptan-2-yl) methyl carbonate
CID 59289690
4-Ethyl-2,2,3,4-tetrafluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59482649
Methyl [1,2,2,5-tetrafluoro-3-(trifluoromethyl)heptan-3-yl] carbonate
CID 59676505
Tert-butyl [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] carbonate
CID 145725461

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate?
The IUPAC name of [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate (CID 58820919) is [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate.
What is the SMILES notation for [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate?
The canonical SMILES for [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate is CCC1(F)CC(OC(=O)OC)(C(F)(F)F)C(F)(F)C1F.
What is the InChIKey of [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate?
The InChIKey is DOTAVDPAXHCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O3/c1-3-7(12)4-8(10(15,16)17,20-6(18)19-2)9(13,14)5(7)11/h5H,3-4H2,1-2H3.
What are the key properties of [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate?
[4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate has a molecular weight of 312.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2,2,3,4-tetrafluoro-1-(trifluoromethyl)cyclopentyl] methyl carbonate is sourced from PubChem (CID 58820919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).