1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol

C10H20FNO — CID 80694535

IUPAC1-[(2-fluoroethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(CC1)(CNCCF)O
InChIInChI=1S/C10H20FNO/c1-9-2-4-10(13,5-3-9)8-12-7-6-11/h9,12-13H,2-8H2,1H3
InChIKeyJFBUPTFYXWQWJF-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.30
Rot. Bonds4

About 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 80694535) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-[(2-fluoroethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID80694535
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-[(2-fluoroethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(CC1)(CNCCF)O
InChIInChI=1S/C10H20FNO/c1-9-2-4-10(13,5-3-9)8-12-7-6-11/h9,12-13H,2-8H2,1H3
InChIKeyJFBUPTFYXWQWJF-UHFFFAOYSA-N
XLogP1.30
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol (CID 80694535) is 1-[(2-fluoroethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(CC1)(CNCCF)O.
What is the InChIKey of 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is JFBUPTFYXWQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9-2-4-10(13,5-3-9)8-12-7-6-11/h9,12-13H,2-8H2,1H3.
What are the key properties of 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 80694535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).