(E)-5-fluoro-N-methyloct-2-en-2-amine

C9H18FN — CID 89209365

IUPAC(E)-5-fluoro-N-methyloct-2-en-2-amine
SMILESCCCC(F)C/C=C(\C)NC
InChIInChI=1S/C9H18FN/c1-4-5-9(10)7-6-8(2)11-3/h6,9,11H,4-5,7H2,1-3H3/b8-6+
InChIKeyMQEGIKPIBZNHPX-SOFGYWHQSA-N
MW159.25 g/mol
LogP2.64
Rot. Bonds5

About (E)-5-fluoro-N-methyloct-2-en-2-amine

(E)-5-fluoro-N-methyloct-2-en-2-amine (PubChem CID 89209365) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-5-fluoro-N-methyloct-2-en-2-amine.

Molecular Properties

Compound Name(E)-5-fluoro-N-methyloct-2-en-2-amine
PubChem CID89209365
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(E)-5-fluoro-N-methyloct-2-en-2-amine
SMILESCCCC(F)C/C=C(\C)NC
InChIInChI=1S/C9H18FN/c1-4-5-9(10)7-6-8(2)11-3/h6,9,11H,4-5,7H2,1-3H3/b8-6+
InChIKeyMQEGIKPIBZNHPX-SOFGYWHQSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-N-methyloct-2-en-2-amine?
The IUPAC name of (E)-5-fluoro-N-methyloct-2-en-2-amine (CID 89209365) is (E)-5-fluoro-N-methyloct-2-en-2-amine.
What is the SMILES notation for (E)-5-fluoro-N-methyloct-2-en-2-amine?
The canonical SMILES for (E)-5-fluoro-N-methyloct-2-en-2-amine is CCCC(F)C/C=C(\C)NC.
What is the InChIKey of (E)-5-fluoro-N-methyloct-2-en-2-amine?
The InChIKey is MQEGIKPIBZNHPX-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-5-9(10)7-6-8(2)11-3/h6,9,11H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of (E)-5-fluoro-N-methyloct-2-en-2-amine?
(E)-5-fluoro-N-methyloct-2-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N-methyloct-2-en-2-amine is sourced from PubChem (CID 89209365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).