(1-fluoro-2-isocyanoethyl)cyclohexane

C9H14FN — CID 84763638

IUPAC(1-fluoro-2-isocyanoethyl)cyclohexane
SMILES[C-]#[N+]CC(F)C1CCCCC1
InChIInChI=1S/C9H14FN/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7H2
InChIKeyTUODYTJSKICALA-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.82
Rot. Bonds2

About (1-fluoro-2-isocyanoethyl)cyclohexane

(1-fluoro-2-isocyanoethyl)cyclohexane (PubChem CID 84763638) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (1-fluoro-2-isocyanoethyl)cyclohexane.

Molecular Properties

Compound Name(1-fluoro-2-isocyanoethyl)cyclohexane
PubChem CID84763638
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(1-fluoro-2-isocyanoethyl)cyclohexane
SMILES[C-]#[N+]CC(F)C1CCCCC1
InChIInChI=1S/C9H14FN/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7H2
InChIKeyTUODYTJSKICALA-UHFFFAOYSA-N
XLogP2.82
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.82
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-isocyanoethyl)cyclohexane?
The IUPAC name of (1-fluoro-2-isocyanoethyl)cyclohexane (CID 84763638) is (1-fluoro-2-isocyanoethyl)cyclohexane.
What is the SMILES notation for (1-fluoro-2-isocyanoethyl)cyclohexane?
The canonical SMILES for (1-fluoro-2-isocyanoethyl)cyclohexane is [C-]#[N+]CC(F)C1CCCCC1.
What is the InChIKey of (1-fluoro-2-isocyanoethyl)cyclohexane?
The InChIKey is TUODYTJSKICALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-11-7-9(10)8-5-3-2-4-6-8/h8-9H,2-7H2.
What are the key properties of (1-fluoro-2-isocyanoethyl)cyclohexane?
(1-fluoro-2-isocyanoethyl)cyclohexane has a molecular weight of 155.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-isocyanoethyl)cyclohexane is sourced from PubChem (CID 84763638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).