(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol

C9H18FNO — CID 155183993

IUPAC(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
SMILESCC(N)/C=C\CC(C)(F)CCO
InChIInChI=1S/C9H18FNO/c1-8(11)4-3-5-9(2,10)6-7-12/h3-4,8,12H,5-7,11H2,1-2H3/b4-3-
InChIKeyVERILZQIAFWKLN-ARJAWSKDSA-N
MW175.25 g/mol
LogP1.39
Rot. Bonds5

About (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol

(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol (PubChem CID 155183993) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol.

Molecular Properties

Compound Name(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
PubChem CID155183993
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
SMILESCC(N)/C=C\CC(C)(F)CCO
InChIInChI=1S/C9H18FNO/c1-8(11)4-3-5-9(2,10)6-7-12/h3-4,8,12H,5-7,11H2,1-2H3/b4-3-
InChIKeyVERILZQIAFWKLN-ARJAWSKDSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol?
The IUPAC name of (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol (CID 155183993) is (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol.
What is the SMILES notation for (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol?
The canonical SMILES for (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol is CC(N)/C=C\CC(C)(F)CCO.
What is the InChIKey of (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol?
The InChIKey is VERILZQIAFWKLN-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(11)4-3-5-9(2,10)6-7-12/h3-4,8,12H,5-7,11H2,1-2H3/b4-3-.
What are the key properties of (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol?
(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol is sourced from PubChem (CID 155183993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).