2-fluoro-4-methylpenta-1,3-dien-3-amine

C6H10FN — CID 162681971

IUPAC2-fluoro-4-methylpenta-1,3-dien-3-amine
SMILESC=C(F)C(N)=C(C)C
InChIInChI=1S/C6H10FN/c1-4(2)6(8)5(3)7/h3,8H2,1-2H3
InChIKeyVOAOCGCPQQKSRO-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds1

About 2-fluoro-4-methylpenta-1,3-dien-3-amine

2-fluoro-4-methylpenta-1,3-dien-3-amine (PubChem CID 162681971) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-fluoro-4-methylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name2-fluoro-4-methylpenta-1,3-dien-3-amine
PubChem CID162681971
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-fluoro-4-methylpenta-1,3-dien-3-amine
SMILESC=C(F)C(N)=C(C)C
InChIInChI=1S/C6H10FN/c1-4(2)6(8)5(3)7/h3,8H2,1-2H3
InChIKeyVOAOCGCPQQKSRO-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylpenta-1,3-dien-3-amine?
The IUPAC name of 2-fluoro-4-methylpenta-1,3-dien-3-amine (CID 162681971) is 2-fluoro-4-methylpenta-1,3-dien-3-amine.
What is the SMILES notation for 2-fluoro-4-methylpenta-1,3-dien-3-amine?
The canonical SMILES for 2-fluoro-4-methylpenta-1,3-dien-3-amine is C=C(F)C(N)=C(C)C.
What is the InChIKey of 2-fluoro-4-methylpenta-1,3-dien-3-amine?
The InChIKey is VOAOCGCPQQKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-4(2)6(8)5(3)7/h3,8H2,1-2H3.
What are the key properties of 2-fluoro-4-methylpenta-1,3-dien-3-amine?
2-fluoro-4-methylpenta-1,3-dien-3-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylpenta-1,3-dien-3-amine is sourced from PubChem (CID 162681971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).