trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane

C8H15F — CID 167274571

IUPACtrans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
SMILESCC(C)[C@H]1CCC[C@@H]1F
InChIInChI=1S/C8H15F/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyQAUSKLBBOLALGU-SFYZADRCSA-N
MW130.21 g/mol
LogP2.78
Rot. Bonds1

About trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane

trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane (PubChem CID 167274571) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
PubChem CID167274571
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nametrans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
SMILESCC(C)[C@H]1CCC[C@@H]1F
InChIInChI=1S/C8H15F/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyQAUSKLBBOLALGU-SFYZADRCSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane 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-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane?
The IUPAC name of trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane (CID 167274571) is trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane is CC(C)[C@H]1CCC[C@@H]1F.
What is the InChIKey of trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane?
The InChIKey is QAUSKLBBOLALGU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15F/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane?
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane has a molecular weight of 130.21 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane is sourced from PubChem (CID 167274571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).