(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine

C9H18FNO — CID 129313080

IUPAC(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
SMILESCC/C=C(\C)C(OC)C(N)CF
InChIInChI=1S/C9H18FNO/c1-4-5-7(2)9(12-3)8(11)6-10/h5,8-9H,4,6,11H2,1-3H3/b7-5+
InChIKeyBSOZFSDRYAPKSY-FNORWQNLSA-N
MW175.25 g/mol
LogP1.65
Rot. Bonds5

About (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine

(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine (PubChem CID 129313080) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
PubChem CID129313080
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine
SMILESCC/C=C(\C)C(OC)C(N)CF
InChIInChI=1S/C9H18FNO/c1-4-5-7(2)9(12-3)8(11)6-10/h5,8-9H,4,6,11H2,1-3H3/b7-5+
InChIKeyBSOZFSDRYAPKSY-FNORWQNLSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine?
The IUPAC name of (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine (CID 129313080) is (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine.
What is the SMILES notation for (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine?
The canonical SMILES for (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine is CC/C=C(\C)C(OC)C(N)CF.
What is the InChIKey of (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine?
The InChIKey is BSOZFSDRYAPKSY-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-5-7(2)9(12-3)8(11)6-10/h5,8-9H,4,6,11H2,1-3H3/b7-5+.
What are the key properties of (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine?
(E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-3-methoxy-4-methylhept-4-en-2-amine is sourced from PubChem (CID 129313080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).