3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine

C10H14FN — CID 155236766

IUPAC3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine
SMILESC=CCN(CC=C)C(=C)C(=C)F
InChIInChI=1S/C10H14FN/c1-5-7-12(8-6-2)10(4)9(3)11/h5-6H,1-4,7-8H2
InChIKeyPSJUBIHOZLUFNN-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.66
Rot. Bonds6

About 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine

3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine (PubChem CID 155236766) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine
PubChem CID155236766
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine
SMILESC=CCN(CC=C)C(=C)C(=C)F
InChIInChI=1S/C10H14FN/c1-5-7-12(8-6-2)10(4)9(3)11/h5-6H,1-4,7-8H2
InChIKeyPSJUBIHOZLUFNN-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine?
The IUPAC name of 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine (CID 155236766) is 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine.
What is the SMILES notation for 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine?
The canonical SMILES for 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine is C=CCN(CC=C)C(=C)C(=C)F.
What is the InChIKey of 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine?
The InChIKey is PSJUBIHOZLUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-7-12(8-6-2)10(4)9(3)11/h5-6H,1-4,7-8H2.
What are the key properties of 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine?
3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 155236766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).