2-amino-2-ethyl-8-fluorooctan-1-ol

C10H22FNO — CID 90225695

IUPAC2-amino-2-ethyl-8-fluorooctan-1-ol
SMILESCCC(N)(CO)CCCCCCF
InChIInChI=1S/C10H22FNO/c1-2-10(12,9-13)7-5-3-4-6-8-11/h13H,2-9,12H2,1H3
InChIKeyBTPJWYKAQMULCD-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.01
Rot. Bonds8

About 2-amino-2-ethyl-8-fluorooctan-1-ol

2-amino-2-ethyl-8-fluorooctan-1-ol (PubChem CID 90225695) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 2-amino-2-ethyl-8-fluorooctan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-8-fluorooctan-1-ol
PubChem CID90225695
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name2-amino-2-ethyl-8-fluorooctan-1-ol
SMILESCCC(N)(CO)CCCCCCF
InChIInChI=1S/C10H22FNO/c1-2-10(12,9-13)7-5-3-4-6-8-11/h13H,2-9,12H2,1H3
InChIKeyBTPJWYKAQMULCD-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.01
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-amino-2-ethyl-8-fluorooctan-1-ol?
The IUPAC name of 2-amino-2-ethyl-8-fluorooctan-1-ol (CID 90225695) is 2-amino-2-ethyl-8-fluorooctan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-8-fluorooctan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-8-fluorooctan-1-ol is CCC(N)(CO)CCCCCCF.
What is the InChIKey of 2-amino-2-ethyl-8-fluorooctan-1-ol?
The InChIKey is BTPJWYKAQMULCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-2-10(12,9-13)7-5-3-4-6-8-11/h13H,2-9,12H2,1H3.
What are the key properties of 2-amino-2-ethyl-8-fluorooctan-1-ol?
2-amino-2-ethyl-8-fluorooctan-1-ol has a molecular weight of 191.29 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-8-fluorooctan-1-ol is sourced from PubChem (CID 90225695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).