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

C11H16F6 — CID 20771099

IUPAC1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane
SMILESCCC1CC(CC)C(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C11H16F6/c1-3-6-5-7(4-2)9(11(15,16)17)8(6)10(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyGTPHDKBXDIJTLO-UHFFFAOYSA-N
MW262.24 g/mol
LogP4.80
Rot. Bonds2

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

1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane (PubChem CID 20771099) has the molecular formula C11H16F6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane
PubChem CID20771099
Molecular FormulaC11H16F6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane
SMILESCCC1CC(CC)C(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C11H16F6/c1-3-6-5-7(4-2)9(11(15,16)17)8(6)10(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyGTPHDKBXDIJTLO-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane?
The IUPAC name of 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane (CID 20771099) is 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane is CCC1CC(CC)C(C(F)(F)F)C1C(F)(F)F.
What is the InChIKey of 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane?
The InChIKey is GTPHDKBXDIJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6/c1-3-6-5-7(4-2)9(11(15,16)17)8(6)10(12,13)14/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane?
1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane has a molecular weight of 262.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,3-bis(trifluoromethyl)cyclopentane is sourced from PubChem (CID 20771099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).