4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol

C12H16F2N2O — CID 54902753

IUPAC4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol
SMILESNc1cc(F)c(NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-5-7(15)6-11(14)12(10)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2
InChIKeyKOTHWRFJYSUADF-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol

4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol (PubChem CID 54902753) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol
PubChem CID54902753
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol
SMILESNc1cc(F)c(NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-5-7(15)6-11(14)12(10)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2
InChIKeyKOTHWRFJYSUADF-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.26
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 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol (CID 54902753) is 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol is Nc1cc(F)c(NC2CCC(O)CC2)c(F)c1.
What is the InChIKey of 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol?
The InChIKey is KOTHWRFJYSUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-5-7(15)6-11(14)12(10)16-8-1-3-9(17)4-2-8/h5-6,8-9,16-17H,1-4,15H2.
What are the key properties of 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol?
4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol has a molecular weight of 242.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 54902753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).