1-fluoro-2-iminooctan-3-ol

C8H16FNO — CID 88613905

IUPAC1-fluoro-2-iminooctan-3-ol
SMILES[H]/N=C(\CF)C(O)CCCCC
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-8(11)7(10)6-9/h8,10-11H,2-6H2,1H3/b10-7+
InChIKeyWQUAUYADYVLVON-JXMROGBWSA-N
MW161.22 g/mol
LogP1.92
Rot. Bonds6

About 1-fluoro-2-iminooctan-3-ol

1-fluoro-2-iminooctan-3-ol (PubChem CID 88613905) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-fluoro-2-iminooctan-3-ol.

Molecular Properties

Compound Name1-fluoro-2-iminooctan-3-ol
PubChem CID88613905
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-fluoro-2-iminooctan-3-ol
SMILES[H]/N=C(\CF)C(O)CCCCC
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-8(11)7(10)6-9/h8,10-11H,2-6H2,1H3/b10-7+
InChIKeyWQUAUYADYVLVON-JXMROGBWSA-N
XLogP1.92
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-hexyloctadecan-9-imine
CID 170012526
1-fluoropentadecane-3,4-diol
CID 174316140
nonacosane-14,15-diol
CID 91509633
1-fluorotridecan-2-ol
CID 139710681
2-hydroxy-N,N-dimethylhexanimidamide
CID 123619138
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
1,1,2-tribromooct-1-en-3-ol
CID 10785026
2-hydroxyheptanoic acid
CID 2750949
pentadecane-4,5-diol
CID 103454846
icosan-3-ol
CID 14940768
3-hydroxydecan-2-one
CID 12524096
2-hydroxyoctadecanoic acid
CID 87724091

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-iminooctan-3-ol?
The IUPAC name of 1-fluoro-2-iminooctan-3-ol (CID 88613905) is 1-fluoro-2-iminooctan-3-ol.
What is the SMILES notation for 1-fluoro-2-iminooctan-3-ol?
The canonical SMILES for 1-fluoro-2-iminooctan-3-ol is [H]/N=C(\CF)C(O)CCCCC.
What is the InChIKey of 1-fluoro-2-iminooctan-3-ol?
The InChIKey is WQUAUYADYVLVON-JXMROGBWSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-4-5-8(11)7(10)6-9/h8,10-11H,2-6H2,1H3/b10-7+.
What are the key properties of 1-fluoro-2-iminooctan-3-ol?
1-fluoro-2-iminooctan-3-ol has a molecular weight of 161.22 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iminooctan-3-ol is sourced from PubChem (CID 88613905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).