4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol

C9H20FNO — CID 106146545

IUPAC4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCCCF
InChIInChI=1S/C9H20FNO/c1-9(2,4-7-12)8-11-6-3-5-10/h11-12H,3-8H2,1-2H3
InChIKeyNPRGXARBYWEYCP-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.34
Rot. Bonds7

About 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol

4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106146545) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol
PubChem CID106146545
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCCCF
InChIInChI=1S/C9H20FNO/c1-9(2,4-7-12)8-11-6-3-5-10/h11-12H,3-8H2,1-2H3
InChIKeyNPRGXARBYWEYCP-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol (CID 106146545) is 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCCCF.
What is the InChIKey of 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is NPRGXARBYWEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-9(2,4-7-12)8-11-6-3-5-10/h11-12H,3-8H2,1-2H3.
What are the key properties of 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol?
4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 177.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).