3-[(2-fluoroethylamino)methyl]pentan-3-ol

C8H18FNO — CID 80694204

IUPAC3-[(2-fluoroethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCF
InChIInChI=1S/C8H18FNO/c1-3-8(11,4-2)7-10-6-5-9/h10-11H,3-7H2,1-2H3
InChIKeyIANFIMMZFPPGOZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.10
Rot. Bonds6

About 3-[(2-fluoroethylamino)methyl]pentan-3-ol

3-[(2-fluoroethylamino)methyl]pentan-3-ol (PubChem CID 80694204) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-[(2-fluoroethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-fluoroethylamino)methyl]pentan-3-ol
PubChem CID80694204
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name3-[(2-fluoroethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCF
InChIInChI=1S/C8H18FNO/c1-3-8(11,4-2)7-10-6-5-9/h10-11H,3-7H2,1-2H3
InChIKeyIANFIMMZFPPGOZ-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.10
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 3-[(2-fluoroethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-fluoroethylamino)methyl]pentan-3-ol (CID 80694204) is 3-[(2-fluoroethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-fluoroethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-fluoroethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCCF.
What is the InChIKey of 3-[(2-fluoroethylamino)methyl]pentan-3-ol?
The InChIKey is IANFIMMZFPPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-3-8(11,4-2)7-10-6-5-9/h10-11H,3-7H2,1-2H3.
What are the key properties of 3-[(2-fluoroethylamino)methyl]pentan-3-ol?
3-[(2-fluoroethylamino)methyl]pentan-3-ol has a molecular weight of 163.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoroethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 80694204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).