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

C8H18FNO — CID 81105245

IUPAC4-(3-fluoropropylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCCCF
InChIInChI=1S/C8H18FNO/c1-8(3-6-11)7-10-5-2-4-9/h8,10-11H,2-7H2,1H3
InChIKeyIWQKMXYHTCIDMW-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.95
Rot. Bonds7

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

4-(3-fluoropropylamino)-3-methylbutan-1-ol (PubChem CID 81105245) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3-fluoropropylamino)-3-methylbutan-1-ol
PubChem CID81105245
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name4-(3-fluoropropylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCCCF
InChIInChI=1S/C8H18FNO/c1-8(3-6-11)7-10-5-2-4-9/h8,10-11H,2-7H2,1H3
InChIKeyIWQKMXYHTCIDMW-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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-methylbutan-1-ol?
The IUPAC name of 4-(3-fluoropropylamino)-3-methylbutan-1-ol (CID 81105245) is 4-(3-fluoropropylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(3-fluoropropylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(3-fluoropropylamino)-3-methylbutan-1-ol is CC(CCO)CNCCCF.
What is the InChIKey of 4-(3-fluoropropylamino)-3-methylbutan-1-ol?
The InChIKey is IWQKMXYHTCIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-8(3-6-11)7-10-5-2-4-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-(3-fluoropropylamino)-3-methylbutan-1-ol?
4-(3-fluoropropylamino)-3-methylbutan-1-ol has a molecular weight of 163.24 g/mol, XLogP of 0.95, 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-methylbutan-1-ol is sourced from PubChem (CID 81105245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).