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

C7H12FN — CID 166774744

IUPAC(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\NCC)CF
InChIInChI=1S/C7H12FN/c1-3-9-5-4-7(2)6-8/h4-5,9H,2-3,6H2,1H3/b5-4-
InChIKeyKUIHCIAHLARNFN-PLNGDYQASA-N
MW129.18 g/mol
LogP1.64
Rot. Bonds4

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

(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine (PubChem CID 166774744) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine
PubChem CID166774744
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\NCC)CF
InChIInChI=1S/C7H12FN/c1-3-9-5-4-7(2)6-8/h4-5,9H,2-3,6H2,1H3/b5-4-
InChIKeyKUIHCIAHLARNFN-PLNGDYQASA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine (CID 166774744) is (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine is C=C(/C=C\NCC)CF.
What is the InChIKey of (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine?
The InChIKey is KUIHCIAHLARNFN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12FN/c1-3-9-5-4-7(2)6-8/h4-5,9H,2-3,6H2,1H3/b5-4-.
What are the key properties of (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine?
(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 166774744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).