(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine

C5H8FN — CID 143572818

IUPAC(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
SMILESC=C/C(F)=C/NC
InChIInChI=1S/C5H8FN/c1-3-5(6)4-7-2/h3-4,7H,1H2,2H3/b5-4-
InChIKeySJKXHORALRVVGY-PLNGDYQASA-N
MW101.12 g/mol
LogP1.20
Rot. Bonds2

About (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine

(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine (PubChem CID 143572818) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
PubChem CID143572818
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
SMILESC=C/C(F)=C/NC
InChIInChI=1S/C5H8FN/c1-3-5(6)4-7-2/h3-4,7H,1H2,2H3/b5-4-
InChIKeySJKXHORALRVVGY-PLNGDYQASA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.20
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

(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E,5E)-3,6-difluorohepta-1,3,5-triene
CID 126636482
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(2E)-3-fluoro-N,N-dimethylpenta-2,4-dien-1-amine
CID 169181661
ethane;N-methylethenamine
CID 143349321
2-fluorobuta-1,3-diene
CID 551655
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
5-fluorohepta-4,6-dien-2-ol
CID 123543230
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-2-one
CID 89271005
(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
CID 155185239
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
ethane-1,2-diol;N-methylethenamine
CID 88730727

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine (CID 143572818) is (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine is C=C/C(F)=C/NC.
What is the InChIKey of (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine?
The InChIKey is SJKXHORALRVVGY-PLNGDYQASA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(6)4-7-2/h3-4,7H,1H2,2H3/b5-4-.
What are the key properties of (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine?
(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine has a molecular weight of 101.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143572818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).