N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine

C8H14FN — CID 139341424

IUPACN-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C(C)C)N(C)F
InChIInChI=1S/C8H14FN/c1-6(2)8(7(3)4)10(5)9/h1H2,2-5H3
InChIKeyNHJMIGQMUYLPIF-UHFFFAOYSA-N
MW143.20 g/mol
LogP2.67
Rot. Bonds2

About N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine

N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine (PubChem CID 139341424) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine.

Molecular Properties

Compound NameN-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
PubChem CID139341424
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC NameN-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C(C)C)N(C)F
InChIInChI=1S/C8H14FN/c1-6(2)8(7(3)4)10(5)9/h1H2,2-5H3
InChIKeyNHJMIGQMUYLPIF-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine?
The IUPAC name of N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine (CID 139341424) is N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine.
What is the SMILES notation for N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine?
The canonical SMILES for N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine is C=C(C)C(=C(C)C)N(C)F.
What is the InChIKey of N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine?
The InChIKey is NHJMIGQMUYLPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)8(7(3)4)10(5)9/h1H2,2-5H3.
What are the key properties of N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine?
N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine has a molecular weight of 143.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine is sourced from PubChem (CID 139341424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).