3-(6-amino-2,3-difluoroanilino)propan-1-ol

C9H12F2N2O — CID 62532991

IUPAC3-(6-amino-2,3-difluoroanilino)propan-1-ol
SMILESNc1ccc(F)c(F)c1NCCCO
InChIInChI=1S/C9H12F2N2O/c10-6-2-3-7(12)9(8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5,12H2
InChIKeyJXVLPDINBACXDM-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.34
Rot. Bonds4

About 3-(6-amino-2,3-difluoroanilino)propan-1-ol

3-(6-amino-2,3-difluoroanilino)propan-1-ol (PubChem CID 62532991) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-(6-amino-2,3-difluoroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(6-amino-2,3-difluoroanilino)propan-1-ol
PubChem CID62532991
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-(6-amino-2,3-difluoroanilino)propan-1-ol
SMILESNc1ccc(F)c(F)c1NCCCO
InChIInChI=1S/C9H12F2N2O/c10-6-2-3-7(12)9(8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5,12H2
InChIKeyJXVLPDINBACXDM-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2,3-difluoroanilino)propan-1-ol?
The IUPAC name of 3-(6-amino-2,3-difluoroanilino)propan-1-ol (CID 62532991) is 3-(6-amino-2,3-difluoroanilino)propan-1-ol.
What is the SMILES notation for 3-(6-amino-2,3-difluoroanilino)propan-1-ol?
The canonical SMILES for 3-(6-amino-2,3-difluoroanilino)propan-1-ol is Nc1ccc(F)c(F)c1NCCCO.
What is the InChIKey of 3-(6-amino-2,3-difluoroanilino)propan-1-ol?
The InChIKey is JXVLPDINBACXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-6-2-3-7(12)9(8(6)11)13-4-1-5-14/h2-3,13-14H,1,4-5,12H2.
What are the key properties of 3-(6-amino-2,3-difluoroanilino)propan-1-ol?
3-(6-amino-2,3-difluoroanilino)propan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2,3-difluoroanilino)propan-1-ol is sourced from PubChem (CID 62532991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).