1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol

C10H20FNO — CID 80694861

IUPAC1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCF)CCCCCC1
InChIInChI=1S/C10H20FNO/c11-7-8-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2
InChIKeyOUUFXYKAXFNUMY-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.63
Rot. Bonds4

About 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol

1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol (PubChem CID 80694861) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol
PubChem CID80694861
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCF)CCCCCC1
InChIInChI=1S/C10H20FNO/c11-7-8-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2
InChIKeyOUUFXYKAXFNUMY-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]cycloheptan-1-ol?
The IUPAC name of 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol (CID 80694861) is 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol is OC1(CNCCF)CCCCCC1.
What is the InChIKey of 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol?
The InChIKey is OUUFXYKAXFNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-7-8-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2.
What are the key properties of 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol?
1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoroethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 80694861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).