4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine

C12H22FN — CID 89223874

IUPAC4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine
SMILESC/C=C\N=C(/C)CC(C)(F)C(C)(C)C
InChIInChI=1S/C12H22FN/c1-7-8-14-10(2)9-12(6,13)11(3,4)5/h7-8H,9H2,1-6H3/b8-7-,14-10+
InChIKeyVIJLVKBKKMXUQS-HCDFZPOGSA-N
MW199.31 g/mol
LogP4.15
Rot. Bonds3

About 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine

4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine (PubChem CID 89223874) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine.

Molecular Properties

Compound Name4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine
PubChem CID89223874
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine
SMILESC/C=C\N=C(/C)CC(C)(F)C(C)(C)C
InChIInChI=1S/C12H22FN/c1-7-8-14-10(2)9-12(6,13)11(3,4)5/h7-8H,9H2,1-6H3/b8-7-,14-10+
InChIKeyVIJLVKBKKMXUQS-HCDFZPOGSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine?
The IUPAC name of 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine (CID 89223874) is 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine.
What is the SMILES notation for 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine?
The canonical SMILES for 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine is C/C=C\N=C(/C)CC(C)(F)C(C)(C)C.
What is the InChIKey of 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine?
The InChIKey is VIJLVKBKKMXUQS-HCDFZPOGSA-N. The full InChI is InChI=1S/C12H22FN/c1-7-8-14-10(2)9-12(6,13)11(3,4)5/h7-8H,9H2,1-6H3/b8-7-,14-10+.
What are the key properties of 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine?
4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine has a molecular weight of 199.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5,5-trimethyl-N-[(Z)-prop-1-enyl]hexan-2-imine is sourced from PubChem (CID 89223874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).