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

C10H17F3 — CID 20771101

IUPAC1,4-diethyl-2-(trifluoromethyl)cyclopentane
SMILESCCC1CC(CC)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-3-7-5-8(4-2)9(6-7)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUCOIWJWLJZFIPF-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.01
Rot. Bonds2

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

1,4-diethyl-2-(trifluoromethyl)cyclopentane (PubChem CID 20771101) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,4-diethyl-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,4-diethyl-2-(trifluoromethyl)cyclopentane
PubChem CID20771101
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,4-diethyl-2-(trifluoromethyl)cyclopentane
SMILESCCC1CC(CC)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-3-7-5-8(4-2)9(6-7)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUCOIWJWLJZFIPF-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.01
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-(trifluoromethyl)cyclopentane?
The IUPAC name of 1,4-diethyl-2-(trifluoromethyl)cyclopentane (CID 20771101) is 1,4-diethyl-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,4-diethyl-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,4-diethyl-2-(trifluoromethyl)cyclopentane is CCC1CC(CC)C(C(F)(F)F)C1.
What is the InChIKey of 1,4-diethyl-2-(trifluoromethyl)cyclopentane?
The InChIKey is UCOIWJWLJZFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-3-7-5-8(4-2)9(6-7)10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1,4-diethyl-2-(trifluoromethyl)cyclopentane?
1,4-diethyl-2-(trifluoromethyl)cyclopentane has a molecular weight of 194.24 g/mol, XLogP of 4.01, 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-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 20771101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).