3-fluoro-2-(pentylamino)octan-1-ol

C13H28FNO — CID 88612749

IUPAC3-fluoro-2-(pentylamino)octan-1-ol
SMILESCCCCCNC(CO)C(F)CCCCC
InChIInChI=1S/C13H28FNO/c1-3-5-7-9-12(14)13(11-16)15-10-8-6-4-2/h12-13,15-16H,3-11H2,1-2H3
InChIKeyNQHOSYASWCZIIX-UHFFFAOYSA-N
MW233.37 g/mol
LogP3.05
Rot. Bonds11

About 3-fluoro-2-(pentylamino)octan-1-ol

3-fluoro-2-(pentylamino)octan-1-ol (PubChem CID 88612749) has the molecular formula C13H28FNO and a molecular weight of 233.37 g/mol. Its IUPAC name is 3-fluoro-2-(pentylamino)octan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-(pentylamino)octan-1-ol
PubChem CID88612749
Molecular FormulaC13H28FNO
Molecular Weight233.37 g/mol
Exact Mass233.22
IUPAC Name3-fluoro-2-(pentylamino)octan-1-ol
SMILESCCCCCNC(CO)C(F)CCCCC
InChIInChI=1S/C13H28FNO/c1-3-5-7-9-12(14)13(11-16)15-10-8-6-4-2/h12-13,15-16H,3-11H2,1-2H3
InChIKeyNQHOSYASWCZIIX-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 53.05
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-fluoro-2-(pentylamino)octan-1-ol?
The IUPAC name of 3-fluoro-2-(pentylamino)octan-1-ol (CID 88612749) is 3-fluoro-2-(pentylamino)octan-1-ol.
What is the SMILES notation for 3-fluoro-2-(pentylamino)octan-1-ol?
The canonical SMILES for 3-fluoro-2-(pentylamino)octan-1-ol is CCCCCNC(CO)C(F)CCCCC.
What is the InChIKey of 3-fluoro-2-(pentylamino)octan-1-ol?
The InChIKey is NQHOSYASWCZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO/c1-3-5-7-9-12(14)13(11-16)15-10-8-6-4-2/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of 3-fluoro-2-(pentylamino)octan-1-ol?
3-fluoro-2-(pentylamino)octan-1-ol has a molecular weight of 233.37 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(pentylamino)octan-1-ol is sourced from PubChem (CID 88612749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).