2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol

C12H16F2N2O — CID 115507102

IUPAC2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
SMILESNc1c(F)cc(F)cc1NCC1CCCC1O
InChIInChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2
InChIKeyLGGUJOORHXXYBZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.12
Rot. Bonds3

About 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol

2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol (PubChem CID 115507102) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
PubChem CID115507102
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
SMILESNc1c(F)cc(F)cc1NCC1CCCC1O
InChIInChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2
InChIKeyLGGUJOORHXXYBZ-UHFFFAOYSA-N
XLogP2.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol (CID 115507102) is 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol is Nc1c(F)cc(F)cc1NCC1CCCC1O.
What is the InChIKey of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The InChIKey is LGGUJOORHXXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2.
What are the key properties of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol has a molecular weight of 242.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115507102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).