[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol

C9H18FNO — CID 80693887

IUPAC[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCF
InChIInChI=1S/C9H18FNO/c10-4-5-11-6-8-2-1-3-9(8)7-12/h8-9,11-12H,1-7H2
InChIKeyFVFWYMDSVHRUEV-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.95
Rot. Bonds5

About [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol

[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol (PubChem CID 80693887) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol
PubChem CID80693887
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCF
InChIInChI=1S/C9H18FNO/c10-4-5-11-6-8-2-1-3-9(8)7-12/h8-9,11-12H,1-7H2
InChIKeyFVFWYMDSVHRUEV-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.95
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 [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol (CID 80693887) is [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol is OCC1CCCC1CNCCF.
What is the InChIKey of [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol?
The InChIKey is FVFWYMDSVHRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-4-5-11-6-8-2-1-3-9(8)7-12/h8-9,11-12H,1-7H2.
What are the key properties of [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol?
[2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol has a molecular weight of 175.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluoroethylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 80693887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).