N-(fluoromethyl)buta-1,3-dien-2-amine

C5H8FN — CID 137389650

IUPACN-(fluoromethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NCF
InChIInChI=1S/C5H8FN/c1-3-5(2)7-4-6/h3,7H,1-2,4H2
InChIKeyGYADZISDEDYMMJ-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.20
Rot. Bonds3

About N-(fluoromethyl)buta-1,3-dien-2-amine

N-(fluoromethyl)buta-1,3-dien-2-amine (PubChem CID 137389650) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-(fluoromethyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-(fluoromethyl)buta-1,3-dien-2-amine
PubChem CID137389650
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-(fluoromethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NCF
InChIInChI=1S/C5H8FN/c1-3-5(2)7-4-6/h3,7H,1-2,4H2
InChIKeyGYADZISDEDYMMJ-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
(1E)-1-fluoro-N-methylbuta-1,3-dien-1-amine
CID 118349261
(E)-4-fluoro-N-methylbut-2-en-2-amine
CID 129208250
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(1E)-N-ethyl-1-fluorobuta-1,3-dien-1-amine
CID 134581899
N-(1-fluoroethyl)buta-1,3-dien-2-amine
CID 138577129
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995
(2E,4Z,6E)-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 141822129
(3Z)-5-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 141904111
(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine
CID 142859113
(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine
CID 142969695
(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 143206290

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)buta-1,3-dien-2-amine?
The IUPAC name of N-(fluoromethyl)buta-1,3-dien-2-amine (CID 137389650) is N-(fluoromethyl)buta-1,3-dien-2-amine.
What is the SMILES notation for N-(fluoromethyl)buta-1,3-dien-2-amine?
The canonical SMILES for N-(fluoromethyl)buta-1,3-dien-2-amine is C=CC(=C)NCF.
What is the InChIKey of N-(fluoromethyl)buta-1,3-dien-2-amine?
The InChIKey is GYADZISDEDYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(2)7-4-6/h3,7H,1-2,4H2.
What are the key properties of N-(fluoromethyl)buta-1,3-dien-2-amine?
N-(fluoromethyl)buta-1,3-dien-2-amine has a molecular weight of 101.12 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 137389650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).