(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine

C8H12FN — CID 138478269

IUPAC(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C=C\F)CNC
InChIInChI=1S/C8H12FN/c1-3-8(7-10-2)5-4-6-9/h3-6,10H,1,7H2,2H3/b6-4+,8-5+
InChIKeyHETFKQWDDFWKQP-HLQBBKRNSA-N
MW141.19 g/mol
LogP1.80
Rot. Bonds4

About (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine

(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine (PubChem CID 138478269) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
PubChem CID138478269
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C=C\F)CNC
InChIInChI=1S/C8H12FN/c1-3-8(7-10-2)5-4-6-9/h3-6,10H,1,7H2,2H3/b6-4+,8-5+
InChIKeyHETFKQWDDFWKQP-HLQBBKRNSA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
CID 88935075
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine
CID 118336192
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(2Z)-3-fluoro-N,2-dimethylpenta-2,4-dien-1-amine
CID 124188880
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 126710477

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine (CID 138478269) is (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine is C=C/C(=C\C=C\F)CNC.
What is the InChIKey of (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine?
The InChIKey is HETFKQWDDFWKQP-HLQBBKRNSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-8(7-10-2)5-4-6-9/h3-6,10H,1,7H2,2H3/b6-4+,8-5+.
What are the key properties of (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 138478269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).