(1-fluoro-3-isocyanopropyl)cyclobutane

C8H12FN — CID 84762668

IUPAC(1-fluoro-3-isocyanopropyl)cyclobutane
SMILES[C-]#[N+]CCC(F)C1CCC1
InChIInChI=1S/C8H12FN/c1-10-6-5-8(9)7-3-2-4-7/h7-8H,2-6H2
InChIKeyFLPXYCCRTBKSPQ-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.43
Rot. Bonds3

About (1-fluoro-3-isocyanopropyl)cyclobutane

(1-fluoro-3-isocyanopropyl)cyclobutane (PubChem CID 84762668) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1-fluoro-3-isocyanopropyl)cyclobutane.

Molecular Properties

Compound Name(1-fluoro-3-isocyanopropyl)cyclobutane
PubChem CID84762668
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1-fluoro-3-isocyanopropyl)cyclobutane
SMILES[C-]#[N+]CCC(F)C1CCC1
InChIInChI=1S/C8H12FN/c1-10-6-5-8(9)7-3-2-4-7/h7-8H,2-6H2
InChIKeyFLPXYCCRTBKSPQ-UHFFFAOYSA-N
XLogP2.43
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-3-isocyanopropyl)cyclobutane?
The IUPAC name of (1-fluoro-3-isocyanopropyl)cyclobutane (CID 84762668) is (1-fluoro-3-isocyanopropyl)cyclobutane.
What is the SMILES notation for (1-fluoro-3-isocyanopropyl)cyclobutane?
The canonical SMILES for (1-fluoro-3-isocyanopropyl)cyclobutane is [C-]#[N+]CCC(F)C1CCC1.
What is the InChIKey of (1-fluoro-3-isocyanopropyl)cyclobutane?
The InChIKey is FLPXYCCRTBKSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-10-6-5-8(9)7-3-2-4-7/h7-8H,2-6H2.
What are the key properties of (1-fluoro-3-isocyanopropyl)cyclobutane?
(1-fluoro-3-isocyanopropyl)cyclobutane has a molecular weight of 141.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-isocyanopropyl)cyclobutane is sourced from PubChem (CID 84762668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).