N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline

C12H16FNO — CID 126847817

IUPACN-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H]2CCC[C@H]2F)cc1
InChIInChI=1S/C12H16FNO/c1-15-10-7-5-9(6-8-10)14-12-4-2-3-11(12)13/h5-8,11-12,14H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyAQJAENQFDRNCJU-VXGBXAGGSA-N
MW209.26 g/mol
LogP3.00
Rot. Bonds3

About N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline

N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline (PubChem CID 126847817) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
PubChem CID126847817
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H]2CCC[C@H]2F)cc1
InChIInChI=1S/C12H16FNO/c1-15-10-7-5-9(6-8-10)14-12-4-2-3-11(12)13/h5-8,11-12,14H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyAQJAENQFDRNCJU-VXGBXAGGSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline?
The IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline (CID 126847817) is N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline is COc1ccc(N[C@@H]2CCC[C@H]2F)cc1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline?
The InChIKey is AQJAENQFDRNCJU-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-10-7-5-9(6-8-10)14-12-4-2-3-11(12)13/h5-8,11-12,14H,2-4H2,1H3/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline?
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline has a molecular weight of 209.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline is sourced from PubChem (CID 126847817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).