3-(3-fluoropropoxy)cyclobutan-1-amine

C7H14FNO — CID 81113512

IUPAC3-(3-fluoropropoxy)cyclobutan-1-amine
SMILESNC1CC(OCCCF)C1
InChIInChI=1S/C7H14FNO/c8-2-1-3-10-7-4-6(9)5-7/h6-7H,1-5,9H2
InChIKeyQEWGOGZLYXOPMK-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.85
Rot. Bonds4

About 3-(3-fluoropropoxy)cyclobutan-1-amine

3-(3-fluoropropoxy)cyclobutan-1-amine (PubChem CID 81113512) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)cyclobutan-1-amine
PubChem CID81113512
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(3-fluoropropoxy)cyclobutan-1-amine
SMILESNC1CC(OCCCF)C1
InChIInChI=1S/C7H14FNO/c8-2-1-3-10-7-4-6(9)5-7/h6-7H,1-5,9H2
InChIKeyQEWGOGZLYXOPMK-UHFFFAOYSA-N
XLogP0.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
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-fluoropropoxy)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluoropropoxy)cyclobutan-1-amine (CID 81113512) is 3-(3-fluoropropoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluoropropoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluoropropoxy)cyclobutan-1-amine is NC1CC(OCCCF)C1.
What is the InChIKey of 3-(3-fluoropropoxy)cyclobutan-1-amine?
The InChIKey is QEWGOGZLYXOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-2-1-3-10-7-4-6(9)5-7/h6-7H,1-5,9H2.
What are the key properties of 3-(3-fluoropropoxy)cyclobutan-1-amine?
3-(3-fluoropropoxy)cyclobutan-1-amine has a molecular weight of 147.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)cyclobutan-1-amine is sourced from PubChem (CID 81113512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).