1-(1-fluoroethyl)-1-isocyanatocyclobutane

C7H10FNO — CID 105428427

IUPAC1-(1-fluoroethyl)-1-isocyanatocyclobutane
SMILESCC(F)C1(N=C=O)CCC1
InChIInChI=1S/C7H10FNO/c1-6(8)7(9-5-10)3-2-4-7/h6H,2-4H2,1H3
InChIKeyKRCNUEPVJBTDOT-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.60
Rot. Bonds2

About 1-(1-fluoroethyl)-1-isocyanatocyclobutane

1-(1-fluoroethyl)-1-isocyanatocyclobutane (PubChem CID 105428427) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-1-isocyanatocyclobutane.

Molecular Properties

Compound Name1-(1-fluoroethyl)-1-isocyanatocyclobutane
PubChem CID105428427
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name1-(1-fluoroethyl)-1-isocyanatocyclobutane
SMILESCC(F)C1(N=C=O)CCC1
InChIInChI=1S/C7H10FNO/c1-6(8)7(9-5-10)3-2-4-7/h6H,2-4H2,1H3
InChIKeyKRCNUEPVJBTDOT-UHFFFAOYSA-N
XLogP1.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-1-isocyanatocyclobutane?
The IUPAC name of 1-(1-fluoroethyl)-1-isocyanatocyclobutane (CID 105428427) is 1-(1-fluoroethyl)-1-isocyanatocyclobutane.
What is the SMILES notation for 1-(1-fluoroethyl)-1-isocyanatocyclobutane?
The canonical SMILES for 1-(1-fluoroethyl)-1-isocyanatocyclobutane is CC(F)C1(N=C=O)CCC1.
What is the InChIKey of 1-(1-fluoroethyl)-1-isocyanatocyclobutane?
The InChIKey is KRCNUEPVJBTDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-6(8)7(9-5-10)3-2-4-7/h6H,2-4H2,1H3.
What are the key properties of 1-(1-fluoroethyl)-1-isocyanatocyclobutane?
1-(1-fluoroethyl)-1-isocyanatocyclobutane has a molecular weight of 143.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-1-isocyanatocyclobutane is sourced from PubChem (CID 105428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).