1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane

C8H12FN — CID 84762667

IUPAC1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane
SMILES[C-]#[N+]CC1CCCC1(C)F
InChIInChI=1S/C8H12FN/c1-8(9)5-3-4-7(8)6-10-2/h7H,3-6H2,1H3
InChIKeyLVOZWAGNDFCNHB-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.43
Rot. Bonds1

About 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane

1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane (PubChem CID 84762667) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane
PubChem CID84762667
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane
SMILES[C-]#[N+]CC1CCCC1(C)F
InChIInChI=1S/C8H12FN/c1-8(9)5-3-4-7(8)6-10-2/h7H,3-6H2,1H3
InChIKeyLVOZWAGNDFCNHB-UHFFFAOYSA-N
XLogP2.43
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-2-(isocyanomethyl)-1-methylcyclopentane?
The IUPAC name of 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane (CID 84762667) is 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane.
What is the SMILES notation for 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane?
The canonical SMILES for 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane is [C-]#[N+]CC1CCCC1(C)F.
What is the InChIKey of 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane?
The InChIKey is LVOZWAGNDFCNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-8(9)5-3-4-7(8)6-10-2/h7H,3-6H2,1H3.
What are the key properties of 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane?
1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane has a molecular weight of 141.19 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(isocyanomethyl)-1-methylcyclopentane is sourced from PubChem (CID 84762667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).