N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine

C10H18FN — CID 167199959

IUPACN-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
SMILESC/C=N/C[C@@](C)(F)/C(C)=C\CC
InChIInChI=1S/C10H18FN/c1-5-7-9(3)10(4,11)8-12-6-2/h6-7H,5,8H2,1-4H3/b9-7-,12-6+/t10-/m1/s1
InChIKeyGFEBQPGRHZRZKV-WVIYDONDSA-N
MW171.26 g/mol
LogP3.16
Rot. Bonds4

About N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine

N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine (PubChem CID 167199959) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
PubChem CID167199959
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
SMILESC/C=N/C[C@@](C)(F)/C(C)=C\CC
InChIInChI=1S/C10H18FN/c1-5-7-9(3)10(4,11)8-12-6-2/h6-7H,5,8H2,1-4H3/b9-7-,12-6+/t10-/m1/s1
InChIKeyGFEBQPGRHZRZKV-WVIYDONDSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine?
The IUPAC name of N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine (CID 167199959) is N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine.
What is the SMILES notation for N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine?
The canonical SMILES for N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine is C/C=N/C[C@@](C)(F)/C(C)=C\CC.
What is the InChIKey of N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine?
The InChIKey is GFEBQPGRHZRZKV-WVIYDONDSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-7-9(3)10(4,11)8-12-6-2/h6-7H,5,8H2,1-4H3/b9-7-,12-6+/t10-/m1/s1.
What are the key properties of N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine?
N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine has a molecular weight of 171.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine is sourced from PubChem (CID 167199959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).