(E)-4-fluoro-5-methylhex-3-en-2-imine

C7H12FN — CID 123219991

IUPAC(E)-4-fluoro-5-methylhex-3-en-2-imine
SMILES[H]/N=C(C)/C=C(/F)C(C)C
InChIInChI=1S/C7H12FN/c1-5(2)7(8)4-6(3)9/h4-5,9H,1-3H3/b7-4+,9-6+
InChIKeyBARKCQDAVJMQHW-KRHXFINASA-N
MW129.18 g/mol
LogP2.54
Rot. Bonds2

About (E)-4-fluoro-5-methylhex-3-en-2-imine

(E)-4-fluoro-5-methylhex-3-en-2-imine (PubChem CID 123219991) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-4-fluoro-5-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-fluoro-5-methylhex-3-en-2-imine
PubChem CID123219991
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-4-fluoro-5-methylhex-3-en-2-imine
SMILES[H]/N=C(C)/C=C(/F)C(C)C
InChIInChI=1S/C7H12FN/c1-5(2)7(8)4-6(3)9/h4-5,9H,1-3H3/b7-4+,9-6+
InChIKeyBARKCQDAVJMQHW-KRHXFINASA-N
XLogP2.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-5-methylhex-3-en-2-imine?
The IUPAC name of (E)-4-fluoro-5-methylhex-3-en-2-imine (CID 123219991) is (E)-4-fluoro-5-methylhex-3-en-2-imine.
What is the SMILES notation for (E)-4-fluoro-5-methylhex-3-en-2-imine?
The canonical SMILES for (E)-4-fluoro-5-methylhex-3-en-2-imine is [H]/N=C(C)/C=C(/F)C(C)C.
What is the InChIKey of (E)-4-fluoro-5-methylhex-3-en-2-imine?
The InChIKey is BARKCQDAVJMQHW-KRHXFINASA-N. The full InChI is InChI=1S/C7H12FN/c1-5(2)7(8)4-6(3)9/h4-5,9H,1-3H3/b7-4+,9-6+.
What are the key properties of (E)-4-fluoro-5-methylhex-3-en-2-imine?
(E)-4-fluoro-5-methylhex-3-en-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-5-methylhex-3-en-2-imine is sourced from PubChem (CID 123219991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).