3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane

C10H14F6 — CID 58957750

IUPAC3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane
SMILESCCC1CC(C)(F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C10H14F6/c1-4-6-5-7(2,11)10(15,16)9(6,14)8(3,12)13/h6H,4-5H2,1-3H3
InChIKeyOHRCGKUWRFGLCH-UHFFFAOYSA-N
MW248.21 g/mol
LogP4.14
Rot. Bonds2

About 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane

3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane (PubChem CID 58957750) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane
PubChem CID58957750
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane
SMILESCCC1CC(C)(F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C10H14F6/c1-4-6-5-7(2,11)10(15,16)9(6,14)8(3,12)13/h6H,4-5H2,1-3H3
InChIKeyOHRCGKUWRFGLCH-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 54.14
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-1,2,2,3-tetrafluoro-1-methylcyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane (CID 58957750) is 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane is CCC1CC(C)(F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane?
The InChIKey is OHRCGKUWRFGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c1-4-6-5-7(2,11)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-1,2,2,3-tetrafluoro-1-methylcyclopentane?
3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane has a molecular weight of 248.21 g/mol, XLogP of 4.14, 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-1,2,2,3-tetrafluoro-1-methylcyclopentane is sourced from PubChem (CID 58957750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).