(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine

C12H20FN — CID 142082844

IUPAC(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C(C)=C(/C=C(\C)F)CN(C)C
InChIInChI=1S/C12H20FN/c1-6-7-10(2)12(8-11(3)13)9-14(4)5/h6-8H,9H2,1-5H3/b7-6-,11-8+,12-10+
InChIKeyIOPDUISCSLUXGB-NQTXETOGSA-N
MW197.30 g/mol
LogP3.31
Rot. Bonds4

About (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine

(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine (PubChem CID 142082844) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine
PubChem CID142082844
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C(C)=C(/C=C(\C)F)CN(C)C
InChIInChI=1S/C12H20FN/c1-6-7-10(2)12(8-11(3)13)9-14(4)5/h6-8H,9H2,1-5H3/b7-6-,11-8+,12-10+
InChIKeyIOPDUISCSLUXGB-NQTXETOGSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
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 (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine (CID 142082844) is (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine is C/C=C\C(C)=C(/C=C(\C)F)CN(C)C.
What is the InChIKey of (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine?
The InChIKey is IOPDUISCSLUXGB-NQTXETOGSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-7-10(2)12(8-11(3)13)9-14(4)5/h6-8H,9H2,1-5H3/b7-6-,11-8+,12-10+.
What are the key properties of (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine?
(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 142082844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).