(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine

C10H16FN — CID 142464980

IUPAC(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC(C)C)C(=C)F
InChIInChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-
InChIKeyXRVVBLNFPASONU-POHAHGRESA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds5

About (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine

(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine (PubChem CID 142464980) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
PubChem CID142464980
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC(C)C)C(=C)F
InChIInChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-
InChIKeyXRVVBLNFPASONU-POHAHGRESA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
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 (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine (CID 142464980) is (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine is C=C/C=C(/CNC(C)C)C(=C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The InChIKey is XRVVBLNFPASONU-POHAHGRESA-N. The full InChI is InChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-.
What are the key properties of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).