trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane

C6H2ClF9 — CID 98117627

IUPACtrans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)[C@@H]1[C@@H](Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11/h1-2H/t1-,2-/m1/s1
InChIKeyKQTKOKIFRWGIAH-JCYAYHJZSA-N
MW280.52 g/mol
LogP3.69
Rot. Bonds

About trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane

trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane (PubChem CID 98117627) has the molecular formula C6H2ClF9 and a molecular weight of 280.52 g/mol. Its IUPAC name is trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Nametrans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
PubChem CID98117627
Molecular FormulaC6H2ClF9
Molecular Weight280.52 g/mol
Exact Mass279.97
IUPAC Nametrans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)[C@@H]1[C@@H](Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11/h1-2H/t1-,2-/m1/s1
InChIKeyKQTKOKIFRWGIAH-JCYAYHJZSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 89333882
cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
CID 96565592
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
CID 150455539
1,4-difluoro-1,2,2,3-tetrakis(trifluoromethyl)cyclobutane
CID 155155925
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexane
CID 167433154
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
CID 135324593
4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 170230565
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429

Frequently Asked Questions

What is the IUPAC name of trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane?
The IUPAC name of trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane (CID 98117627) is trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane.
What is the SMILES notation for trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane?
The canonical SMILES for trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane is FC(F)(F)[C@@H]1[C@@H](Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane?
The InChIKey is KQTKOKIFRWGIAH-JCYAYHJZSA-N. The full InChI is InChI=1S/C6H2ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11/h1-2H/t1-,2-/m1/s1.
What are the key properties of trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane?
trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane has a molecular weight of 280.52 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 98117627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).