3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol

C5H9ClFNO — CID 88583417

IUPAC3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol
SMILESOC1(CF)CC(NCl)C1
InChIInChI=1S/C5H9ClFNO/c6-8-4-1-5(9,2-4)3-7/h4,8-9H,1-3H2
InChIKeyFKBZWLQUMIFLPM-UHFFFAOYSA-N
MW153.58 g/mol
LogP0.59
Rot. Bonds2

About 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol

3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol (PubChem CID 88583417) has the molecular formula C5H9ClFNO and a molecular weight of 153.58 g/mol. Its IUPAC name is 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol
PubChem CID88583417
Molecular FormulaC5H9ClFNO
Molecular Weight153.58 g/mol
Exact Mass153.04
IUPAC Name3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol
SMILESOC1(CF)CC(NCl)C1
InChIInChI=1S/C5H9ClFNO/c6-8-4-1-5(9,2-4)3-7/h4,8-9H,1-3H2
InChIKeyFKBZWLQUMIFLPM-UHFFFAOYSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.58
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol (CID 88583417) is 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol is OC1(CF)CC(NCl)C1.
What is the InChIKey of 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol?
The InChIKey is FKBZWLQUMIFLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClFNO/c6-8-4-1-5(9,2-4)3-7/h4,8-9H,1-3H2.
What are the key properties of 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol?
3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol has a molecular weight of 153.58 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-1-(fluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 88583417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).