(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine

C6H10FN — CID 89419773

IUPAC(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)F
InChIInChI=1S/C6H10FN/c1-5(2)3-4-6(7)8/h3-4H,8H2,1-2H3/b6-4-
InChIKeyDDQQEDIQLWFJCD-XQRVVYSFSA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds1

About (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine

(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine (PubChem CID 89419773) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine
PubChem CID89419773
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)F
InChIInChI=1S/C6H10FN/c1-5(2)3-4-6(7)8/h3-4H,8H2,1-2H3/b6-4-
InChIKeyDDQQEDIQLWFJCD-XQRVVYSFSA-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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine (CID 89419773) is (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine is CC(C)=C/C=C(\N)F.
What is the InChIKey of (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine?
The InChIKey is DDQQEDIQLWFJCD-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10FN/c1-5(2)3-4-6(7)8/h3-4H,8H2,1-2H3/b6-4-.
What are the key properties of (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine?
(1E)-1-fluoro-4-methylpenta-1,3-dien-1-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 (1E)-1-fluoro-4-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 89419773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).