3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol

C8H14F3NO — CID 66005534

IUPAC3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)1-2-12-5-6-3-7(13)4-6/h6-7,12-13H,1-5H2
InChIKeyIKKOZRXDGRRETL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds4

About 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol

3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol (PubChem CID 66005534) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol
PubChem CID66005534
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)1-2-12-5-6-3-7(13)4-6/h6-7,12-13H,1-5H2
InChIKeyIKKOZRXDGRRETL-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
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-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol (CID 66005534) is 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol is OC1CC(CNCCC(F)(F)F)C1.
What is the InChIKey of 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol?
The InChIKey is IKKOZRXDGRRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)1-2-12-5-6-3-7(13)4-6/h6-7,12-13H,1-5H2.
What are the key properties of 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol?
3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,3-trifluoropropylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).