2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine

C11H20FN — CID 126536231

IUPAC2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine
SMILESC=C1CCCC(CCN)(CCF)C1
InChIInChI=1S/C11H20FN/c1-10-3-2-4-11(9-10,5-7-12)6-8-13/h1-9,13H2
InChIKeyVNWHJWDYMUGMKL-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.81
Rot. Bonds4

About 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine

2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine (PubChem CID 126536231) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine
PubChem CID126536231
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine
SMILESC=C1CCCC(CCN)(CCF)C1
InChIInChI=1S/C11H20FN/c1-10-3-2-4-11(9-10,5-7-12)6-8-13/h1-9,13H2
InChIKeyVNWHJWDYMUGMKL-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine?
The IUPAC name of 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine (CID 126536231) is 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine?
The canonical SMILES for 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine is C=C1CCCC(CCN)(CCF)C1.
What is the InChIKey of 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine?
The InChIKey is VNWHJWDYMUGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10-3-2-4-11(9-10,5-7-12)6-8-13/h1-9,13H2.
What are the key properties of 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine?
2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine has a molecular weight of 185.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-3-methylidenecyclohexyl]ethanamine is sourced from PubChem (CID 126536231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).