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

C6H10FN — CID 146384626

IUPAC(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESCN/C=C\C=C(/C)F
InChIInChI=1S/C6H10FN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4+
InChIKeyDZPBTFMFTCFVCQ-CIIODKQPSA-N
MW115.15 g/mol
LogP1.59
Rot. Bonds2

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

(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine (PubChem CID 146384626) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine
PubChem CID146384626
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESCN/C=C\C=C(/C)F
InChIInChI=1S/C6H10FN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4+
InChIKeyDZPBTFMFTCFVCQ-CIIODKQPSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine (CID 146384626) is (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine is CN/C=C\C=C(/C)F.
What is the InChIKey of (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine?
The InChIKey is DZPBTFMFTCFVCQ-CIIODKQPSA-N. The full InChI is InChI=1S/C6H10FN/c1-6(7)4-3-5-8-2/h3-5,8H,1-2H3/b5-3-,6-4+.
What are the key properties of (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine?
(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine has a molecular weight of 115.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 146384626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).