(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine

C6H9F2NO — CID 178134132

IUPAC(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine
SMILESC=C(N)/C(=C\C)OC(F)F
InChIInChI=1S/C6H9F2NO/c1-3-5(4(2)9)10-6(7)8/h3,6H,2,9H2,1H3/b5-3+
InChIKeyCREWNVAHQSBCOZ-HWKANZROSA-N
MW149.14 g/mol
LogP1.60
Rot. Bonds3

About (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine

(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine (PubChem CID 178134132) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine
PubChem CID178134132
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine
SMILESC=C(N)/C(=C\C)OC(F)F
InChIInChI=1S/C6H9F2NO/c1-3-5(4(2)9)10-6(7)8/h3,6H,2,9H2,1H3/b5-3+
InChIKeyCREWNVAHQSBCOZ-HWKANZROSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine (CID 178134132) is (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine is C=C(N)/C(=C\C)OC(F)F.
What is the InChIKey of (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine?
The InChIKey is CREWNVAHQSBCOZ-HWKANZROSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-3-5(4(2)9)10-6(7)8/h3,6H,2,9H2,1H3/b5-3+.
What are the key properties of (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine?
(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine has a molecular weight of 149.14 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine is sourced from PubChem (CID 178134132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).