3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol

C8H16FNO — CID 81105244

IUPAC3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCCF)C1
InChIInChI=1S/C8H16FNO/c9-2-1-3-10-6-7-4-8(11)5-7/h7-8,10-11H,1-6H2
InChIKeyXBHRMQYJENYANL-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.71
Rot. Bonds5

About 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol

3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol (PubChem CID 81105244) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol
PubChem CID81105244
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCCF)C1
InChIInChI=1S/C8H16FNO/c9-2-1-3-10-6-7-4-8(11)5-7/h7-8,10-11H,1-6H2
InChIKeyXBHRMQYJENYANL-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol (CID 81105244) is 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol is OC1CC(CNCCCF)C1.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol?
The InChIKey is XBHRMQYJENYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-2-1-3-10-6-7-4-8(11)5-7/h7-8,10-11H,1-6H2.
What are the key properties of 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol?
3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropropylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 81105244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).