trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol

C11H13F2NO — CID 93345900

IUPACtrans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c12-7-4-8(13)6-9(5-7)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2/t10-,11-/m0/s1
InChIKeyGHHMEAYJZGADKE-QWRGUYRKSA-N
MW213.23 g/mol
LogP2.29
Rot. Bonds2

About trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol (PubChem CID 93345900) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
PubChem CID93345900
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametrans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c12-7-4-8(13)6-9(5-7)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2/t10-,11-/m0/s1
InChIKeyGHHMEAYJZGADKE-QWRGUYRKSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol (CID 93345900) is trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1.
What is the InChIKey of trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol?
The InChIKey is GHHMEAYJZGADKE-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-4-8(13)6-9(5-7)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol has a molecular weight of 213.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).