(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine

C7H12FN — CID 166889969

IUPAC(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CC(F)NC
InChIInChI=1S/C7H12FN/c1-3-4-5-6-7(8)9-2/h3-5,7,9H,1,6H2,2H3/b5-4-
InChIKeyYDUAVXUMOGWFHO-PLNGDYQASA-N
MW129.18 g/mol
LogP1.63
Rot. Bonds4

About (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine

(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine (PubChem CID 166889969) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine
PubChem CID166889969
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CC(F)NC
InChIInChI=1S/C7H12FN/c1-3-4-5-6-7(8)9-2/h3-5,7,9H,1,6H2,2H3/b5-4-
InChIKeyYDUAVXUMOGWFHO-PLNGDYQASA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine (CID 166889969) is (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine is C=C/C=C\CC(F)NC.
What is the InChIKey of (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine?
The InChIKey is YDUAVXUMOGWFHO-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12FN/c1-3-4-5-6-7(8)9-2/h3-5,7,9H,1,6H2,2H3/b5-4-.
What are the key properties of (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine?
(3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-fluoro-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 166889969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).