(E)-N-(fluoromethyl)hex-3-en-3-amine

C7H14FN — CID 129273358

IUPAC(E)-N-(fluoromethyl)hex-3-en-3-amine
SMILESCC/C=C(\CC)NCF
InChIInChI=1S/C7H14FN/c1-3-5-7(4-2)9-6-8/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKeyGAFRFPKQPHKQPC-FNORWQNLSA-N
MW131.19 g/mol
LogP2.21
Rot. Bonds4

About (E)-N-(fluoromethyl)hex-3-en-3-amine

(E)-N-(fluoromethyl)hex-3-en-3-amine (PubChem CID 129273358) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (E)-N-(fluoromethyl)hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-(fluoromethyl)hex-3-en-3-amine
PubChem CID129273358
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(E)-N-(fluoromethyl)hex-3-en-3-amine
SMILESCC/C=C(\CC)NCF
InChIInChI=1S/C7H14FN/c1-3-5-7(4-2)9-6-8/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKeyGAFRFPKQPHKQPC-FNORWQNLSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(fluoromethyl)hex-3-en-3-amine?
The IUPAC name of (E)-N-(fluoromethyl)hex-3-en-3-amine (CID 129273358) is (E)-N-(fluoromethyl)hex-3-en-3-amine.
What is the SMILES notation for (E)-N-(fluoromethyl)hex-3-en-3-amine?
The canonical SMILES for (E)-N-(fluoromethyl)hex-3-en-3-amine is CC/C=C(\CC)NCF.
What is the InChIKey of (E)-N-(fluoromethyl)hex-3-en-3-amine?
The InChIKey is GAFRFPKQPHKQPC-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-5-7(4-2)9-6-8/h5,9H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-N-(fluoromethyl)hex-3-en-3-amine?
(E)-N-(fluoromethyl)hex-3-en-3-amine has a molecular weight of 131.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(fluoromethyl)hex-3-en-3-amine is sourced from PubChem (CID 129273358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).