3-(3-fluoropropylamino)butan-1-ol

C7H16FNO — CID 83177066

IUPAC3-(3-fluoropropylamino)butan-1-ol
SMILESCC(CCO)NCCCF
InChIInChI=1S/C7H16FNO/c1-7(3-6-10)9-5-2-4-8/h7,9-10H,2-6H2,1H3
InChIKeyDDTGIMPSSLPACV-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-fluoropropylamino)butan-1-ol

3-(3-fluoropropylamino)butan-1-ol (PubChem CID 83177066) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)butan-1-ol.

Molecular Properties

Compound Name3-(3-fluoropropylamino)butan-1-ol
PubChem CID83177066
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-(3-fluoropropylamino)butan-1-ol
SMILESCC(CCO)NCCCF
InChIInChI=1S/C7H16FNO/c1-7(3-6-10)9-5-2-4-8/h7,9-10H,2-6H2,1H3
InChIKeyDDTGIMPSSLPACV-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-fluoropropylamino)butan-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

Related Compounds

3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
3-(octylamino)butan-1-ol
CID 83177243
N-(3-fluoropropyl)butan-2-amine
CID 81107286
3-(pent-4-ynylamino)butan-1-ol
CID 115977666
3-[2-(dimethylamino)ethylamino]butan-1-ol
CID 83176952
3-(ethylamino)butan-1-ol
CID 12636119
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)butan-1-ol?
The IUPAC name of 3-(3-fluoropropylamino)butan-1-ol (CID 83177066) is 3-(3-fluoropropylamino)butan-1-ol.
What is the SMILES notation for 3-(3-fluoropropylamino)butan-1-ol?
The canonical SMILES for 3-(3-fluoropropylamino)butan-1-ol is CC(CCO)NCCCF.
What is the InChIKey of 3-(3-fluoropropylamino)butan-1-ol?
The InChIKey is DDTGIMPSSLPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(3-6-10)9-5-2-4-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 3-(3-fluoropropylamino)butan-1-ol?
3-(3-fluoropropylamino)butan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)butan-1-ol is sourced from PubChem (CID 83177066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).