N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine

C9H16FN — CID 167254337

IUPACN-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
SMILESCC(C)C(C)/C=C\N=C\CF
InChIInChI=1S/C9H16FN/c1-8(2)9(3)4-6-11-7-5-10/h4,6-9H,5H2,1-3H3/b6-4-,11-7+
InChIKeyUKGLUNHBVQRZDA-WXVRQDIQSA-N
MW157.23 g/mol
LogP2.83
Rot. Bonds4

About N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine

N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine (PubChem CID 167254337) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine.

Molecular Properties

Compound NameN-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
PubChem CID167254337
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
SMILESCC(C)C(C)/C=C\N=C\CF
InChIInChI=1S/C9H16FN/c1-8(2)9(3)4-6-11-7-5-10/h4,6-9H,5H2,1-3H3/b6-4-,11-7+
InChIKeyUKGLUNHBVQRZDA-WXVRQDIQSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.83
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 N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine?
The IUPAC name of N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine (CID 167254337) is N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine.
What is the SMILES notation for N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine?
The canonical SMILES for N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine is CC(C)C(C)/C=C\N=C\CF.
What is the InChIKey of N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine?
The InChIKey is UKGLUNHBVQRZDA-WXVRQDIQSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)9(3)4-6-11-7-5-10/h4,6-9H,5H2,1-3H3/b6-4-,11-7+.
What are the key properties of N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine?
N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine has a molecular weight of 157.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine is sourced from PubChem (CID 167254337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).