trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane

C13H20F6 — CID 169302096

IUPACtrans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane
SMILESCC(C)(C)C1C[C@H](CC(F)(F)F)[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C13H20F6/c1-11(2,3)10-4-8(6-12(14,15)16)9(5-10)7-13(17,18)19/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyCXIHKTGRFFGMIP-RKDXNWHRSA-N
MW290.29 g/mol
LogP5.58
Rot. Bonds2

About trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane

trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane (PubChem CID 169302096) has the molecular formula C13H20F6 and a molecular weight of 290.29 g/mol. Its IUPAC name is trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane
PubChem CID169302096
Molecular FormulaC13H20F6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Nametrans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane
SMILESCC(C)(C)C1C[C@H](CC(F)(F)F)[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C13H20F6/c1-11(2,3)10-4-8(6-12(14,15)16)9(5-10)7-13(17,18)19/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyCXIHKTGRFFGMIP-RKDXNWHRSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.29
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane?
The IUPAC name of trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane (CID 169302096) is trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane.
What is the SMILES notation for trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane?
The canonical SMILES for trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane is CC(C)(C)C1C[C@H](CC(F)(F)F)[C@@H](CC(F)(F)F)C1.
What is the InChIKey of trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane?
The InChIKey is CXIHKTGRFFGMIP-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H20F6/c1-11(2,3)10-4-8(6-12(14,15)16)9(5-10)7-13(17,18)19/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane?
trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane has a molecular weight of 290.29 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane is sourced from PubChem (CID 169302096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).