[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol

C10H20FNO — CID 144991147

IUPAC[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol
SMILESC/C(F)=C/CCCC(C)CNCO
InChIInChI=1S/C10H20FNO/c1-9(7-12-8-13)5-3-4-6-10(2)11/h6,9,12-13H,3-5,7-8H2,1-2H3/b10-6-
InChIKeyGLWYDIFAYRSOHJ-POHAHGRESA-N
MW189.27 g/mol
LogP2.21
Rot. Bonds7

About [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol

[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol (PubChem CID 144991147) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol.

Molecular Properties

Compound Name[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol
PubChem CID144991147
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol
SMILESC/C(F)=C/CCCC(C)CNCO
InChIInChI=1S/C10H20FNO/c1-9(7-12-8-13)5-3-4-6-10(2)11/h6,9,12-13H,3-5,7-8H2,1-2H3/b10-6-
InChIKeyGLWYDIFAYRSOHJ-POHAHGRESA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol
CID 144991210
(2-Cyclohex-2-en-1-ylethylamino)methanol
CID 121291358
methanol;(E)-N-methyl-3-[4-(methylaminomethyl)cyclohex-2-en-1-yl]prop-2-en-1-amine;hydrate
CID 141778784
[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol
CID 149373852
[[(Z)-2-methylnon-3-enyl]amino]methanol
CID 143360686

Frequently Asked Questions

What is the IUPAC name of [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol?
The IUPAC name of [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol (CID 144991147) is [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol.
What is the SMILES notation for [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol?
The canonical SMILES for [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol is C/C(F)=C/CCCC(C)CNCO.
What is the InChIKey of [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol?
The InChIKey is GLWYDIFAYRSOHJ-POHAHGRESA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(7-12-8-13)5-3-4-6-10(2)11/h6,9,12-13H,3-5,7-8H2,1-2H3/b10-6-.
What are the key properties of [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol?
[[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol has a molecular weight of 189.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-7-fluoro-2-methyloct-6-enyl]amino]methanol is sourced from PubChem (CID 144991147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).