2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane

C11H14F8 — CID 20771102

IUPAC2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane
SMILESCCC1C(C(F)(F)F)C(C(F)(F)F)C(CC)C1(F)F
InChIInChI=1S/C11H14F8/c1-3-5-7(10(14,15)16)8(11(17,18)19)6(4-2)9(5,12)13/h5-8H,3-4H2,1-2H3
InChIKeyVPJSASYUEASJBL-UHFFFAOYSA-N
MW298.22 g/mol
LogP5.04
Rot. Bonds2

About 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane

2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane (PubChem CID 20771102) has the molecular formula C11H14F8 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane
PubChem CID20771102
Molecular FormulaC11H14F8
Molecular Weight298.22 g/mol
Exact Mass298.10
IUPAC Name2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane
SMILESCCC1C(C(F)(F)F)C(C(F)(F)F)C(CC)C1(F)F
InChIInChI=1S/C11H14F8/c1-3-5-7(10(14,15)16)8(11(17,18)19)6(4-2)9(5,12)13/h5-8H,3-4H2,1-2H3
InChIKeyVPJSASYUEASJBL-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane?
The IUPAC name of 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane (CID 20771102) is 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane.
What is the SMILES notation for 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane?
The canonical SMILES for 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane is CCC1C(C(F)(F)F)C(C(F)(F)F)C(CC)C1(F)F.
What is the InChIKey of 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane?
The InChIKey is VPJSASYUEASJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8/c1-3-5-7(10(14,15)16)8(11(17,18)19)6(4-2)9(5,12)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane?
2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane has a molecular weight of 298.22 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,1-difluoro-3,4-bis(trifluoromethyl)cyclopentane is sourced from PubChem (CID 20771102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).