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

C6H10FN — CID 138577129

IUPACN-(1-fluoroethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NC(C)F
InChIInChI=1S/C6H10FN/c1-4-5(2)8-6(3)7/h4,6,8H,1-2H2,3H3
InChIKeyMCOQLALCVPLCKY-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.59
Rot. Bonds3

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

N-(1-fluoroethyl)buta-1,3-dien-2-amine (PubChem CID 138577129) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is N-(1-fluoroethyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-(1-fluoroethyl)buta-1,3-dien-2-amine
PubChem CID138577129
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC NameN-(1-fluoroethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NC(C)F
InChIInChI=1S/C6H10FN/c1-4-5(2)8-6(3)7/h4,6,8H,1-2H2,3H3
InChIKeyMCOQLALCVPLCKY-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.59
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'}

Analyze N-(1-fluoroethyl)buta-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
(Z)-N-buta-1,3-dien-2-yl-N'-fluoro-N'-methylethene-1,2-diamine
CID 132093193
(1E)-N-ethyl-1-fluorobuta-1,3-dien-1-amine
CID 134581899
(3E)-3-fluoro-N-propan-2-ylpenta-1,3-dien-2-amine
CID 135302027
N-(fluoromethyl)buta-1,3-dien-2-amine
CID 137389650
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
(1Z)-1-N-(1-fluoroethyl)-3-N-propylbuta-1,3-diene-1,3-diamine
CID 138664249
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995
(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
CID 139473335
(2E,4Z,6E)-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 141822129

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethyl)buta-1,3-dien-2-amine?
The IUPAC name of N-(1-fluoroethyl)buta-1,3-dien-2-amine (CID 138577129) is N-(1-fluoroethyl)buta-1,3-dien-2-amine.
What is the SMILES notation for N-(1-fluoroethyl)buta-1,3-dien-2-amine?
The canonical SMILES for N-(1-fluoroethyl)buta-1,3-dien-2-amine is C=CC(=C)NC(C)F.
What is the InChIKey of N-(1-fluoroethyl)buta-1,3-dien-2-amine?
The InChIKey is MCOQLALCVPLCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-4-5(2)8-6(3)7/h4,6,8H,1-2H2,3H3.
What are the key properties of N-(1-fluoroethyl)buta-1,3-dien-2-amine?
N-(1-fluoroethyl)buta-1,3-dien-2-amine has a molecular weight of 115.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 138577129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).