trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane

C11H20F2 — CID 15402166

IUPACtrans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane
SMILESCC(C)(C)[C@@H]1CC[C@@H](C(C)(F)F)C1
InChIInChI=1S/C11H20F2/c1-10(2,3)8-5-6-9(7-8)11(4,12)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCRIDWAOYGOVFGZ-RKDXNWHRSA-N
MW190.28 g/mol
LogP4.10
Rot. Bonds1

About trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane

trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane (PubChem CID 15402166) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane
PubChem CID15402166
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Nametrans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane
SMILESCC(C)(C)[C@@H]1CC[C@@H](C(C)(F)F)C1
InChIInChI=1S/C11H20F2/c1-10(2,3)8-5-6-9(7-8)11(4,12)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyCRIDWAOYGOVFGZ-RKDXNWHRSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane?
The IUPAC name of trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane (CID 15402166) is trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane?
The canonical SMILES for trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane is CC(C)(C)[C@@H]1CC[C@@H](C(C)(F)F)C1.
What is the InChIKey of trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane?
The InChIKey is CRIDWAOYGOVFGZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20F2/c1-10(2,3)8-5-6-9(7-8)11(4,12)13/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane?
trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane has a molecular weight of 190.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-tert-butyl-3-(1,1-difluoroethyl)cyclopentane is sourced from PubChem (CID 15402166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).