1-cyclopropyl-2-(3-fluoropropylamino)ethanol

C8H16FNO — CID 81107193

IUPAC1-cyclopropyl-2-(3-fluoropropylamino)ethanol
SMILESOC(CNCCCF)C1CC1
InChIInChI=1S/C8H16FNO/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-6H2
InChIKeyLAKABSLLUSQBTE-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.71
Rot. Bonds6

About 1-cyclopropyl-2-(3-fluoropropylamino)ethanol

1-cyclopropyl-2-(3-fluoropropylamino)ethanol (PubChem CID 81107193) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-fluoropropylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-fluoropropylamino)ethanol
PubChem CID81107193
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-cyclopropyl-2-(3-fluoropropylamino)ethanol
SMILESOC(CNCCCF)C1CC1
InChIInChI=1S/C8H16FNO/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-6H2
InChIKeyLAKABSLLUSQBTE-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.71
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 1-cyclopropyl-2-(3-fluoropropylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3-fluoropropylamino)ethanol (CID 81107193) is 1-cyclopropyl-2-(3-fluoropropylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-fluoropropylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-fluoropropylamino)ethanol is OC(CNCCCF)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-fluoropropylamino)ethanol?
The InChIKey is LAKABSLLUSQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-4-1-5-10-6-8(11)7-2-3-7/h7-8,10-11H,1-6H2.
What are the key properties of 1-cyclopropyl-2-(3-fluoropropylamino)ethanol?
1-cyclopropyl-2-(3-fluoropropylamino)ethanol has a molecular weight of 161.22 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 1-cyclopropyl-2-(3-fluoropropylamino)ethanol is sourced from PubChem (CID 81107193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).