2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine

C11H18FN — CID 123558340

IUPAC2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
SMILESC=CC(=CC(CCF)C(=C)C)CN
InChIInChI=1S/C11H18FN/c1-4-10(8-13)7-11(5-6-12)9(2)3/h4,7,11H,1-2,5-6,8,13H2,3H3
InChIKeyRZCUMNVEVIOETR-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.61
Rot. Bonds6

About 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine

2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine (PubChem CID 123558340) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine.

Molecular Properties

Compound Name2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
PubChem CID123558340
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
SMILESC=CC(=CC(CCF)C(=C)C)CN
InChIInChI=1S/C11H18FN/c1-4-10(8-13)7-11(5-6-12)9(2)3/h4,7,11H,1-2,5-6,8,13H2,3H3
InChIKeyRZCUMNVEVIOETR-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
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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Related Compounds

(E)-5-(fluoromethyl)hept-2-en-1-amine
CID 87633570
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 89318310
[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine
CID 89411614
[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89671974
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
(5-Fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
CID 91099450
5-(Fluoromethyl)hept-2-en-1-amine
CID 91369238
(E)-2-(3,3-difluoropropyl)-5-methyl-4-methylidenehex-2-en-1-amine
CID 124095828

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine?
The IUPAC name of 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine (CID 123558340) is 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine.
What is the SMILES notation for 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine?
The canonical SMILES for 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine is C=CC(=CC(CCF)C(=C)C)CN.
What is the InChIKey of 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine?
The InChIKey is RZCUMNVEVIOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-10(8-13)7-11(5-6-12)9(2)3/h4,7,11H,1-2,5-6,8,13H2,3H3.
What are the key properties of 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine?
2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine is sourced from PubChem (CID 123558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).