(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine

C9H16FN — CID 154937376

IUPAC(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C(CF)/C(=C\N(C)C)CC
InChIInChI=1S/C9H16FN/c1-5-9(7-11(3)4)8(2)6-10/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyCWFOIAQDVPIJGI-CLFYSBASSA-N
MW157.23 g/mol
LogP2.37
Rot. Bonds4

About (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine

(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine (PubChem CID 154937376) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
PubChem CID154937376
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C(CF)/C(=C\N(C)C)CC
InChIInChI=1S/C9H16FN/c1-5-9(7-11(3)4)8(2)6-10/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyCWFOIAQDVPIJGI-CLFYSBASSA-N
XLogP2.37
TPSA3.24 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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine (CID 154937376) is (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine is C=C(CF)/C(=C\N(C)C)CC.
What is the InChIKey of (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine?
The InChIKey is CWFOIAQDVPIJGI-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-9(7-11(3)4)8(2)6-10/h7H,2,5-6H2,1,3-4H3/b9-7-.
What are the key properties of (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine?
(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 154937376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).