trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol

C10H12FNO — CID 131701479

IUPACtrans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-7-1-3-8(4-2-7)12-9-5-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1
InChIKeyHWQFHXVNJJPXBE-NXEZZACHSA-N
MW181.21 g/mol
LogP1.76
Rot. Bonds2

About trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol

trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol (PubChem CID 131701479) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
PubChem CID131701479
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Nametrans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-7-1-3-8(4-2-7)12-9-5-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1
InChIKeyHWQFHXVNJJPXBE-NXEZZACHSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol 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,2R)-2-(4-fluoroanilino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol (CID 131701479) is trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol is O[C@@H]1CC[C@H]1Nc1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol?
The InChIKey is HWQFHXVNJJPXBE-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-1-3-8(4-2-7)12-9-5-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol?
trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol is sourced from PubChem (CID 131701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).