(Z)-3-fluoro-4-methylhex-2-en-1-imine

C7H12FN — CID 123420622

IUPAC(Z)-3-fluoro-4-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C(\F)C(C)CC
InChIInChI=1S/C7H12FN/c1-3-6(2)7(8)4-5-9/h4-6,9H,3H2,1-2H3/b7-4-,9-5+
InChIKeyLWUURFLTWBOGSL-ICDOWURLSA-N
MW129.18 g/mol
LogP2.54
Rot. Bonds3

About (Z)-3-fluoro-4-methylhex-2-en-1-imine

(Z)-3-fluoro-4-methylhex-2-en-1-imine (PubChem CID 123420622) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (Z)-3-fluoro-4-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-methylhex-2-en-1-imine
PubChem CID123420622
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(Z)-3-fluoro-4-methylhex-2-en-1-imine
SMILES[H]/N=C/C=C(\F)C(C)CC
InChIInChI=1S/C7H12FN/c1-3-6(2)7(8)4-5-9/h4-6,9H,3H2,1-2H3/b7-4-,9-5+
InChIKeyLWUURFLTWBOGSL-ICDOWURLSA-N
XLogP2.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (Z)-3-fluoro-4-methylhex-2-en-1-imine?
The IUPAC name of (Z)-3-fluoro-4-methylhex-2-en-1-imine (CID 123420622) is (Z)-3-fluoro-4-methylhex-2-en-1-imine.
What is the SMILES notation for (Z)-3-fluoro-4-methylhex-2-en-1-imine?
The canonical SMILES for (Z)-3-fluoro-4-methylhex-2-en-1-imine is [H]/N=C/C=C(\F)C(C)CC.
What is the InChIKey of (Z)-3-fluoro-4-methylhex-2-en-1-imine?
The InChIKey is LWUURFLTWBOGSL-ICDOWURLSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-6(2)7(8)4-5-9/h4-6,9H,3H2,1-2H3/b7-4-,9-5+.
What are the key properties of (Z)-3-fluoro-4-methylhex-2-en-1-imine?
(Z)-3-fluoro-4-methylhex-2-en-1-imine has a molecular weight of 129.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-methylhex-2-en-1-imine is sourced from PubChem (CID 123420622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).