4-(3-fluoropropylamino)pentan-1-ol

C8H18FNO — CID 81105916

IUPAC4-(3-fluoropropylamino)pentan-1-ol
SMILESCC(CCCO)NCCCF
InChIInChI=1S/C8H18FNO/c1-8(4-2-7-11)10-6-3-5-9/h8,10-11H,2-7H2,1H3
InChIKeyOZJLMQFBEDFOQP-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.10
Rot. Bonds7

About 4-(3-fluoropropylamino)pentan-1-ol

4-(3-fluoropropylamino)pentan-1-ol (PubChem CID 81105916) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-fluoropropylamino)pentan-1-ol
PubChem CID81105916
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name4-(3-fluoropropylamino)pentan-1-ol
SMILESCC(CCCO)NCCCF
InChIInChI=1S/C8H18FNO/c1-8(4-2-7-11)10-6-3-5-9/h8,10-11H,2-7H2,1H3
InChIKeyOZJLMQFBEDFOQP-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-fluoropropylamino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropylamino)pentan-1-ol?
The IUPAC name of 4-(3-fluoropropylamino)pentan-1-ol (CID 81105916) is 4-(3-fluoropropylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-fluoropropylamino)pentan-1-ol?
The canonical SMILES for 4-(3-fluoropropylamino)pentan-1-ol is CC(CCCO)NCCCF.
What is the InChIKey of 4-(3-fluoropropylamino)pentan-1-ol?
The InChIKey is OZJLMQFBEDFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-8(4-2-7-11)10-6-3-5-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-(3-fluoropropylamino)pentan-1-ol?
4-(3-fluoropropylamino)pentan-1-ol has a molecular weight of 163.24 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylamino)pentan-1-ol is sourced from PubChem (CID 81105916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).