3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane

C11H14F8 — CID 20764968

IUPAC3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(C)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H14F8/c1-4-6-5-7(2,11(17,18)19)10(15,16)9(6,14)8(3,12)13/h6H,4-5H2,1-3H3
InChIKeyKBYYJYBCFXTDPT-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.98
Rot. Bonds2

About 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane

3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane (PubChem CID 20764968) has the molecular formula C11H14F8 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane
PubChem CID20764968
Molecular FormulaC11H14F8
Molecular Weight298.22 g/mol
Exact Mass298.10
IUPAC Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(C)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C11H14F8/c1-4-6-5-7(2,11(17,18)19)10(15,16)9(6,14)8(3,12)13/h6H,4-5H2,1-3H3
InChIKeyKBYYJYBCFXTDPT-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane (CID 20764968) is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane is CCC1CC(C)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane?
The InChIKey is KBYYJYBCFXTDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8/c1-4-6-5-7(2,11(17,18)19)10(15,16)9(6,14)8(3,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane?
3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane has a molecular weight of 298.22 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-methyl-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 20764968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).