2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine

C17H24FN — CID 167244767

IUPAC2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine
SMILESC/C=C/C=C(/C)N(C)C1=C(CF)C(C)=C(C)C=CC1
InChIInChI=1S/C17H24FN/c1-6-7-10-14(3)19(5)17-11-8-9-13(2)15(4)16(17)12-18/h6-10H,11-12H2,1-5H3/b7-6+,14-10-
InChIKeyHPHRNDLFYJDGIU-FKEISFMISA-N
MW261.38 g/mol
LogP4.92
Rot. Bonds4

About 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine

2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine (PubChem CID 167244767) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine
PubChem CID167244767
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine
SMILESC/C=C/C=C(/C)N(C)C1=C(CF)C(C)=C(C)C=CC1
InChIInChI=1S/C17H24FN/c1-6-7-10-14(3)19(5)17-11-8-9-13(2)15(4)16(17)12-18/h6-10H,11-12H2,1-5H3/b7-6+,14-10-
InChIKeyHPHRNDLFYJDGIU-FKEISFMISA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.92
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 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine (CID 167244767) is 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine is C/C=C/C=C(/C)N(C)C1=C(CF)C(C)=C(C)C=CC1.
What is the InChIKey of 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is HPHRNDLFYJDGIU-FKEISFMISA-N. The full InChI is InChI=1S/C17H24FN/c1-6-7-10-14(3)19(5)17-11-8-9-13(2)15(4)16(17)12-18/h6-10H,11-12H2,1-5H3/b7-6+,14-10-.
What are the key properties of 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine?
2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 167244767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).